CAS 10331-08-5 1H,1H,8H-PERFLUORO-1-OCTANOL molecular structure

lightbox

CAS RN: 10331-08-5

1H,1H,8H-PERFLUORO-1-OCTANOL

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250401	1g	In stock	Inquiry
Batchno.20250806	250mg	In stock	Inquiry
Batchno.20251024	5g	In stock	Inquiry

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260529	250mg / 1g / 5g	Out of stock	5-7 business days	Inquiry

Product code: starshine_CAS10331-08-5
Purity/Analytical Methods: >99.0%

GET A QUOTE

10331-08-5 / 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol

1h,1h,8h-perfluoro-1-octanol | DTXSID00379960 | RefChem:236781

Standard CAS: 10331-08-5 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10331-08-5

Multi CAS

Molecular Formula

C8H4F14O

Molecular Weight

382.090000

Exact Mass

382.003859

SMILES

C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C8H4F14O/c9-2(10)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(11,12)1-23/h2,23H,1H2

InChIKey

ISIIJJQHILZBPB-UHFFFAOYSA-N

Synonyms

1h,1h,8h-perfluoro-1-octanol DTXSID00379960 RefChem:236781 DTXCID10330986 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

42.77

TPSA

20.23

LogP / Solubility

WLOGP

4.06

MLOGP

3.59

XLogP3

4.4

Consensus LogP

4.02

Log S (ESOL)

-4.3

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.62

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-6.35

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.17

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

Safety & Transport

Pictogram(s)

Corrosive Irritant Health Hazard

Signal

Danger

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

Precautionary Statement Codes

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P318, P319, P330, P405, and P501