1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane

C4H4Cl2F4S — CID 168864788

IUPAC1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane
SMILESFC(F)C(Cl)SC(Cl)C(F)F
InChIInChI=1S/C4H4Cl2F4S/c5-1(3(7)8)11-2(6)4(9)10/h1-4H
InChIKeyKMCGLAFVJQHVQV-UHFFFAOYSA-N
MW231.04 g/mol
LogP3.38
Rot. Bonds4

About 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane

1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane (PubChem CID 168864788) has the molecular formula C4H4Cl2F4S and a molecular weight of 231.04 g/mol. Its IUPAC name is 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane.

Molecular Properties

Compound Name1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane
PubChem CID168864788
Molecular FormulaC4H4Cl2F4S
Molecular Weight231.04 g/mol
Exact Mass229.93
IUPAC Name1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane
SMILESFC(F)C(Cl)SC(Cl)C(F)F
InChIInChI=1S/C4H4Cl2F4S/c5-1(3(7)8)11-2(6)4(9)10/h1-4H
InChIKeyKMCGLAFVJQHVQV-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Di(2-chloro-2-trifluoromethylethyl) sulfide
CID 13081341
Bis-(2-chloro-1,1,2-trifluoroethyl) sulfide
CID 56633385
2,2-Dichloro-1-(ethylsulfanyl)-1,1-difluoroethane
CID 71365929
2-(2-Chloroethylsulfanyl)-1,1,1-trifluoroethane
CID 14836842
(2S)-2-chloro-1-ethylsulfanyl-1,1,2-trifluoroethane
CID 22796718
2-(2-Chloroethylsulfanyl)-1,1-difluoroethane
CID 54164126
2-Chloro-1-(2-chloro-2-fluoroethyl)sulfanyl-2,2-difluoroethanethiol
CID 57266141
1-(2-Chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane
CID 87878204
1-(2-Chloro-2-fluoroethyl)sulfanyl-2,2,2-trifluoroethanethiol
CID 90966615
2-Chloro-2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-1,1,1-trifluoroethane
CID 117994259
1,2-Bis(2-chloro-1,1,2,2-tetrafluoroethyl)-1lambda4,2lambda4-dithiacyclobutene
CID 143676176
1,1,1,2,2-Pentafluoro-2-(2,2,2-trichloroethylsulfanyl)ethane;sulfane
CID 157128409

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane?
The IUPAC name of 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane (CID 168864788) is 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane.
What is the SMILES notation for 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane?
The canonical SMILES for 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane is FC(F)C(Cl)SC(Cl)C(F)F.
What is the InChIKey of 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane?
The InChIKey is KMCGLAFVJQHVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2F4S/c5-1(3(7)8)11-2(6)4(9)10/h1-4H.
What are the key properties of 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane?
1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane has a molecular weight of 231.04 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane is sourced from PubChem (CID 168864788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).