4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene

C9H8F4S — CID 175022651

IUPAC4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene
SMILESCc1cc(F)ccc1SC(F)C(F)F
InChIInChI=1S/C9H8F4S/c1-5-4-6(10)2-3-7(5)14-9(13)8(11)12/h2-4,8-9H,1H3
InChIKeyWZDRTMUMLWXQCH-UHFFFAOYSA-N
MW224.22 g/mol
LogP3.79
Rot. Bonds3

About 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene

4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene (PubChem CID 175022651) has the molecular formula C9H8F4S and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene
PubChem CID175022651
Molecular FormulaC9H8F4S
Molecular Weight224.22 g/mol
Exact Mass224.03
IUPAC Name4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene
SMILESCc1cc(F)ccc1SC(F)C(F)F
InChIInChI=1S/C9H8F4S/c1-5-4-6(10)2-3-7(5)14-9(13)8(11)12/h2-4,8-9H,1H3
InChIKeyWZDRTMUMLWXQCH-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)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

4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601
2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
CID 82505973
3-(4-fluoro-2-methylphenyl)sulfanylbutan-1-amine
CID 117032656
2-(4-fluoro-2-methylphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035470
(4-fluoro-2-methylphenyl)sulfanylmethanamine
CID 117032403
4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene
CID 146649535
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
2-(4-fluoro-2-methylphenyl)sulfanylacetonitrile
CID 117033959
2-(2,5-dimethylphenyl)sulfanyl-5-fluorobenzonitrile
CID 55232916
(4-fluoro-2-methylphenyl) propanedithioate
CID 129075399
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
4-(2,4-difluorophenyl)sulfanyl-3-methylbenzonitrile
CID 54934140

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene?
The IUPAC name of 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene (CID 175022651) is 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene.
What is the SMILES notation for 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene?
The canonical SMILES for 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene is Cc1cc(F)ccc1SC(F)C(F)F.
What is the InChIKey of 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene?
The InChIKey is WZDRTMUMLWXQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4S/c1-5-4-6(10)2-3-7(5)14-9(13)8(11)12/h2-4,8-9H,1H3.
What are the key properties of 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene?
4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene has a molecular weight of 224.22 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene is sourced from PubChem (CID 175022651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).