1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene

C8H7ClF2S — CID 14674272

IUPAC1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene
SMILESFC(F)Sc1ccc(CCl)cc1
InChIInChI=1S/C8H7ClF2S/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2
InChIKeyFQMSVRJKZVGTOO-UHFFFAOYSA-N
MW208.66 g/mol
LogP3.74
Rot. Bonds3

About 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene

1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene (PubChem CID 14674272) has the molecular formula C8H7ClF2S and a molecular weight of 208.66 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene
PubChem CID14674272
Molecular FormulaC8H7ClF2S
Molecular Weight208.66 g/mol
Exact Mass207.99
IUPAC Name1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene
SMILESFC(F)Sc1ccc(CCl)cc1
InChIInChI=1S/C8H7ClF2S/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2
InChIKeyFQMSVRJKZVGTOO-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.66
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(chloromethyl)-4-(difluoromethylsulfanyl)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-(azidomethyl)-4-(difluoromethylsulfanyl)benzene
CID 152694403
2-[[4-(difluoromethylsulfanyl)phenyl]methyl]isoindole-1,3-dione
CID 52801221
1-tert-butyl-4-[fluoro(fluoro)methyl]sulfanylbenzene
CID 172516417
N-[[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]methyl]propan-1-amine
CID 63424924
N-[(3-chloro-4-fluorophenyl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 81146194
4-[4-(difluoromethylsulfanyl)phenyl]phenol
CID 83128258
2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2094790
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,2-dimethylpropanamide
CID 60723044
1-(2-chloroethyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
CID 2327059
1-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 56574762
4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole
CID 83158313
2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine
CID 19436410

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene?
The IUPAC name of 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene (CID 14674272) is 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene?
The canonical SMILES for 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene is FC(F)Sc1ccc(CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene?
The InChIKey is FQMSVRJKZVGTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2S/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2.
What are the key properties of 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene?
1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene has a molecular weight of 208.66 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene is sourced from PubChem (CID 14674272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).