2-cyclohexylsulfanyl-2,2-difluoroacetonitrile

C8H11F2NS — CID 83107704

IUPAC2-cyclohexylsulfanyl-2,2-difluoroacetonitrile
SMILESN#CC(F)(F)SC1CCCCC1
InChIInChI=1S/C8H11F2NS/c9-8(10,6-11)12-7-4-2-1-3-5-7/h7H,1-5H2
InChIKeyLBBOSPWXRZGQFT-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.17
Rot. Bonds2

About 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile

2-cyclohexylsulfanyl-2,2-difluoroacetonitrile (PubChem CID 83107704) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-2,2-difluoroacetonitrile
PubChem CID83107704
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-cyclohexylsulfanyl-2,2-difluoroacetonitrile
SMILESN#CC(F)(F)SC1CCCCC1
InChIInChI=1S/C8H11F2NS/c9-8(10,6-11)12-7-4-2-1-3-5-7/h7H,1-5H2
InChIKeyLBBOSPWXRZGQFT-UHFFFAOYSA-N
XLogP3.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile?
The IUPAC name of 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile (CID 83107704) is 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile.
What is the SMILES notation for 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile?
The canonical SMILES for 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile is N#CC(F)(F)SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile?
The InChIKey is LBBOSPWXRZGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NS/c9-8(10,6-11)12-7-4-2-1-3-5-7/h7H,1-5H2.
What are the key properties of 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile?
2-cyclohexylsulfanyl-2,2-difluoroacetonitrile has a molecular weight of 191.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-2,2-difluoroacetonitrile is sourced from PubChem (CID 83107704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).