1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene

C13H8F4S — CID 52520219

IUPAC1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene
SMILESFc1ccc(SCc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C13H8F4S/c14-9-4-5-12(11(16)6-9)18-7-8-2-1-3-10(15)13(8)17/h1-6H,7H2
InChIKeyROEYOEXJPLAJAP-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.54
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene

1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene (PubChem CID 52520219) has the molecular formula C13H8F4S and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene
PubChem CID52520219
Molecular FormulaC13H8F4S
Molecular Weight272.27 g/mol
Exact Mass272.03
IUPAC Name1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene
SMILESFc1ccc(SCc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C13H8F4S/c14-9-4-5-12(11(16)6-9)18-7-8-2-1-3-10(15)13(8)17/h1-6H,7H2
InChIKeyROEYOEXJPLAJAP-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene 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

3-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 103912232
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556
2-[(2,3-difluorophenyl)methylsulfanyl]-4-methylaniline
CID 79142132
[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465416
2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine
CID 47124414
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]aniline
CID 64767853
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
3-[(2,3-difluorophenyl)methylsulfanyl]-4-fluorobenzoic acid
CID 80556469
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107880481
4-[(2-bromo-5-fluorophenyl)methylsulfanyl]-3-fluoroaniline
CID 43303356
3-[(2,4-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43244559
2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524316

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene?
The IUPAC name of 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene (CID 52520219) is 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene is Fc1ccc(SCc2cccc(F)c2F)c(F)c1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene?
The InChIKey is ROEYOEXJPLAJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4S/c14-9-4-5-12(11(16)6-9)18-7-8-2-1-3-10(15)13(8)17/h1-6H,7H2.
What are the key properties of 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene?
1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene has a molecular weight of 272.27 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene is sourced from PubChem (CID 52520219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).