1,1-difluoroethylsulfanylmethylbenzene

C9H10F2S — CID 11137876

IUPAC1,1-difluoroethylsulfanylmethylbenzene
SMILESCC(F)(F)SCc1ccccc1
InChIInChI=1S/C9H10F2S/c1-9(10,11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAUUDYZMCTXIOPY-UHFFFAOYSA-N
MW188.24 g/mol
LogP3.53
Rot. Bonds3

About 1,1-difluoroethylsulfanylmethylbenzene

1,1-difluoroethylsulfanylmethylbenzene (PubChem CID 11137876) has the molecular formula C9H10F2S and a molecular weight of 188.24 g/mol. Its IUPAC name is 1,1-difluoroethylsulfanylmethylbenzene.

Molecular Properties

Compound Name1,1-difluoroethylsulfanylmethylbenzene
PubChem CID11137876
Molecular FormulaC9H10F2S
Molecular Weight188.24 g/mol
Exact Mass188.05
IUPAC Name1,1-difluoroethylsulfanylmethylbenzene
SMILESCC(F)(F)SCc1ccccc1
InChIInChI=1S/C9H10F2S/c1-9(10,11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAUUDYZMCTXIOPY-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoroethylsulfanylmethylbenzene 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 1,1-difluoroethylsulfanylmethylbenzene?
The IUPAC name of 1,1-difluoroethylsulfanylmethylbenzene (CID 11137876) is 1,1-difluoroethylsulfanylmethylbenzene.
What is the SMILES notation for 1,1-difluoroethylsulfanylmethylbenzene?
The canonical SMILES for 1,1-difluoroethylsulfanylmethylbenzene is CC(F)(F)SCc1ccccc1.
What is the InChIKey of 1,1-difluoroethylsulfanylmethylbenzene?
The InChIKey is AUUDYZMCTXIOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2S/c1-9(10,11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 1,1-difluoroethylsulfanylmethylbenzene?
1,1-difluoroethylsulfanylmethylbenzene has a molecular weight of 188.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethylsulfanylmethylbenzene is sourced from PubChem (CID 11137876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).