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CAS 335-44-4 HEPTAFLUORO-2,3,3-TRICHLOROBUTANE molecular structure lightbox
CAS RN: 335-44-4

HEPTAFLUORO-2,3,3-TRICHLOROBUTANE

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250307 1g Out of stock Inquiry
Batchno.20260222 25g Out of stock Inquiry
Batchno.20250617 5g In stock Inquiry
  • Product code: starshine_CAS335-44-4
  • Purity/Analytical Methods: >99.0%
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335-44-4 / 2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane

Standard CAS: 335-44-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
335-44-4
Multi CAS
Yes
Molecular Formula
C4CL3F7
Molecular Weight
287.390000
Exact Mass
285.895380
InChI
InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
InChIKey
ZPGMWBFCBUKITA-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid; mp = 4 deg C; Ethereal odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
36.24
TPSA
0.0000

LogP / Solubility

WLOGP
4.19
MLOGP
3.7
XLogP3
4.5
Consensus LogP
4.13
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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