1,2-difluoro-4-(methylsulfanylmethyl)benzene

C8H8F2S — CID 89093376

IUPAC1,2-difluoro-4-(methylsulfanylmethyl)benzene
SMILESCSCc1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2S/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4H,5H2,1H3
InChIKeyVFCGKWDYWIUFCG-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.83
Rot. Bonds2

About 1,2-difluoro-4-(methylsulfanylmethyl)benzene

1,2-difluoro-4-(methylsulfanylmethyl)benzene (PubChem CID 89093376) has the molecular formula C8H8F2S and a molecular weight of 174.21 g/mol. Its IUPAC name is 1,2-difluoro-4-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(methylsulfanylmethyl)benzene
PubChem CID89093376
Molecular FormulaC8H8F2S
Molecular Weight174.21 g/mol
Exact Mass174.03
IUPAC Name1,2-difluoro-4-(methylsulfanylmethyl)benzene
SMILESCSCc1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2S/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4H,5H2,1H3
InChIKeyVFCGKWDYWIUFCG-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-difluoro-4-(methylsulfanylmethyl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

1,2-difluoro-4-(2-methylsulfanylethyl)benzene
CID 130735643
2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol
CID 115659400
1-[(3,4-difluorophenyl)methylsulfanyl]-3,5-difluorobenzene
CID 91655670
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657909
1,2-difluoro-4-(iodomethyl)benzene
CID 11161116
(3,4-difluorophenyl)methanol
CID 522833
(3,4-difluorophenyl)methylazanium
CID 6951691
1,2-difluoro-4-propylbenzene;methane
CID 160697343
N-[(3,4-difluorophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640064
3-[(3,4-difluorophenyl)methylsulfanyl]butanoic acid
CID 82918744
4-[(3,4-difluorophenyl)methylsulfanyl]-2-fluoroaniline
CID 82918266

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(methylsulfanylmethyl)benzene?
The IUPAC name of 1,2-difluoro-4-(methylsulfanylmethyl)benzene (CID 89093376) is 1,2-difluoro-4-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(methylsulfanylmethyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(methylsulfanylmethyl)benzene is CSCc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(methylsulfanylmethyl)benzene?
The InChIKey is VFCGKWDYWIUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2S/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4H,5H2,1H3.
What are the key properties of 1,2-difluoro-4-(methylsulfanylmethyl)benzene?
1,2-difluoro-4-(methylsulfanylmethyl)benzene has a molecular weight of 174.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 89093376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).