4-cyclopropylsulfanyl-1,2-difluorobenzene

C9H8F2S — CID 130693987

IUPAC4-cyclopropylsulfanyl-1,2-difluorobenzene
SMILESFc1ccc(SC2CC2)cc1F
InChIInChI=1S/C9H8F2S/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6H,1-2H2
InChIKeyZHEBKPDKOJCXBD-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.22
Rot. Bonds2

About 4-cyclopropylsulfanyl-1,2-difluorobenzene

4-cyclopropylsulfanyl-1,2-difluorobenzene (PubChem CID 130693987) has the molecular formula C9H8F2S and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-cyclopropylsulfanyl-1,2-difluorobenzene.

Molecular Properties

Compound Name4-cyclopropylsulfanyl-1,2-difluorobenzene
PubChem CID130693987
Molecular FormulaC9H8F2S
Molecular Weight186.23 g/mol
Exact Mass186.03
IUPAC Name4-cyclopropylsulfanyl-1,2-difluorobenzene
SMILESFc1ccc(SC2CC2)cc1F
InChIInChI=1S/C9H8F2S/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6H,1-2H2
InChIKeyZHEBKPDKOJCXBD-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclopropylsulfanyl-1,2-difluorobenzene 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 4-cyclopropylsulfanyl-1,2-difluorobenzene?
The IUPAC name of 4-cyclopropylsulfanyl-1,2-difluorobenzene (CID 130693987) is 4-cyclopropylsulfanyl-1,2-difluorobenzene.
What is the SMILES notation for 4-cyclopropylsulfanyl-1,2-difluorobenzene?
The canonical SMILES for 4-cyclopropylsulfanyl-1,2-difluorobenzene is Fc1ccc(SC2CC2)cc1F.
What is the InChIKey of 4-cyclopropylsulfanyl-1,2-difluorobenzene?
The InChIKey is ZHEBKPDKOJCXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2S/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6H,1-2H2.
What are the key properties of 4-cyclopropylsulfanyl-1,2-difluorobenzene?
4-cyclopropylsulfanyl-1,2-difluorobenzene has a molecular weight of 186.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfanyl-1,2-difluorobenzene is sourced from PubChem (CID 130693987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).