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CAS 2317-91-1 1-CHLORO-1-FLUOROETHYLENE molecular structure lightbox
CAS RN: 2317-91-1

1-CHLORO-1-FLUOROETHYLENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260406 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2317-91-1
  • Purity/Analytical Methods: >99.0%
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2317-91-1 / 1-chloro-1-fluoroethene

Standard CAS: 2317-91-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2317-91-1
Multi CAS
No
Molecular Formula
C2H2ClF
Molecular Weight
80.490000
Exact Mass
79.982906
SMILES
C=C(F)Cl
InChI
InChI=1S/C2H2ClF/c1-2(3)4/h1H2
InChIKey
FPBWSPZHCJXUBL-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquefied gas
State
Gas

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
1
Molar refractivity
16.1
TPSA
0.0000

LogP / Solubility

WLOGP
1.67
MLOGP
1.45
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

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

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