1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene

C13H9ClF2S — CID 91658064

IUPAC1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene
SMILESFc1cc(SCc2ccccc2F)ccc1Cl
InChIInChI=1S/C13H9ClF2S/c14-11-6-5-10(7-13(11)16)17-8-9-3-1-2-4-12(9)15/h1-7H,8H2
InChIKeyZVALOTSXIPYUFT-UHFFFAOYSA-N
MW270.73 g/mol
LogP4.91
Rot. Bonds3

About 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene

1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene (PubChem CID 91658064) has the molecular formula C13H9ClF2S and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene
PubChem CID91658064
Molecular FormulaC13H9ClF2S
Molecular Weight270.73 g/mol
Exact Mass270.01
IUPAC Name1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene
SMILESFc1cc(SCc2ccccc2F)ccc1Cl
InChIInChI=1S/C13H9ClF2S/c14-11-6-5-10(7-13(11)16)17-8-9-3-1-2-4-12(9)15/h1-7H,8H2
InChIKeyZVALOTSXIPYUFT-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91658314
1-chloro-2-fluoro-4-[(4-fluorophenyl)methylsulfanyl]benzene
CID 91656594
4-chloro-1-[(3,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 91657414
5-[(2-fluorophenyl)methylsulfanyl]-2-methylbenzoic acid
CID 113371729
2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]benzoic acid
CID 43415527
2-bromo-5-[(2-fluorophenyl)methylsulfanyl]benzoic acid
CID 113371479
1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
CID 2804332
1-chloro-2-fluoro-4-(3-methylbutylsulfanyl)benzene
CID 142501814
5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
CID 43302227
1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
CID 87128685
2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 79141636
5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine
CID 112815230

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene?
The IUPAC name of 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene (CID 91658064) is 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene is Fc1cc(SCc2ccccc2F)ccc1Cl.
What is the InChIKey of 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene?
The InChIKey is ZVALOTSXIPYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2S/c14-11-6-5-10(7-13(11)16)17-8-9-3-1-2-4-12(9)15/h1-7H,8H2.
What are the key properties of 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene?
1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene has a molecular weight of 270.73 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene is sourced from PubChem (CID 91658064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).