[email protected]
CAS 647-12-1 Pentadecafluorooctanenitrile molecular structure lightbox
CAS RN: 647-12-1

Pentadecafluorooctanenitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 200mg Out of stock 8-10 business days Inquiry
  • Product code: ICTP2483
  • Purity/Analytical Methods: >96.0%(GC)
GET A QUOTE

647-12-1 / 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanenitrile

Standard CAS: 647-12-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
647-12-1
Multi CAS
Yes
Molecular Formula
C8F15N
Molecular Weight
395.070000
Exact Mass
394.979121
InChI
InChI=1S/C8F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23
InChIKey
FULLNJNBFUCVES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
41.35
TPSA
23.79

LogP / Solubility

WLOGP
4.88
MLOGP
4.32
XLogP3
5.1
Consensus LogP
4.77
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us