2-(2-chloroethylsulfanyl)-1,1-difluoroethane

C4H7ClF2S — CID 54164126

IUPAC2-(2-chloroethylsulfanyl)-1,1-difluoroethane
SMILESFC(F)CSCCCl
InChIInChI=1S/C4H7ClF2S/c5-1-2-8-3-4(6)7/h4H,1-3H2
InChIKeyHJWBDJFHUVOTIV-UHFFFAOYSA-N
MW160.62 g/mol
LogP2.22
Rot. Bonds4

About 2-(2-chloroethylsulfanyl)-1,1-difluoroethane

2-(2-chloroethylsulfanyl)-1,1-difluoroethane (PubChem CID 54164126) has the molecular formula C4H7ClF2S and a molecular weight of 160.62 g/mol. Its IUPAC name is 2-(2-chloroethylsulfanyl)-1,1-difluoroethane.

Molecular Properties

Compound Name2-(2-chloroethylsulfanyl)-1,1-difluoroethane
PubChem CID54164126
Molecular FormulaC4H7ClF2S
Molecular Weight160.62 g/mol
Exact Mass159.99
IUPAC Name2-(2-chloroethylsulfanyl)-1,1-difluoroethane
SMILESFC(F)CSCCCl
InChIInChI=1S/C4H7ClF2S/c5-1-2-8-3-4(6)7/h4H,1-3H2
InChIKeyHJWBDJFHUVOTIV-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfanyl)-1,1-difluoroethane?
The IUPAC name of 2-(2-chloroethylsulfanyl)-1,1-difluoroethane (CID 54164126) is 2-(2-chloroethylsulfanyl)-1,1-difluoroethane.
What is the SMILES notation for 2-(2-chloroethylsulfanyl)-1,1-difluoroethane?
The canonical SMILES for 2-(2-chloroethylsulfanyl)-1,1-difluoroethane is FC(F)CSCCCl.
What is the InChIKey of 2-(2-chloroethylsulfanyl)-1,1-difluoroethane?
The InChIKey is HJWBDJFHUVOTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClF2S/c5-1-2-8-3-4(6)7/h4H,1-3H2.
What are the key properties of 2-(2-chloroethylsulfanyl)-1,1-difluoroethane?
2-(2-chloroethylsulfanyl)-1,1-difluoroethane has a molecular weight of 160.62 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfanyl)-1,1-difluoroethane is sourced from PubChem (CID 54164126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).