1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene

C13H9F3S — CID 91657909

IUPAC1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1cccc(SCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H9F3S/c14-10-2-1-3-11(7-10)17-8-9-4-5-12(15)13(16)6-9/h1-7H,8H2
InChIKeyZQPOAJGNEBSJBW-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.40
Rot. Bonds3

About 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene

1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene (PubChem CID 91657909) has the molecular formula C13H9F3S and a molecular weight of 254.28 g/mol. Its IUPAC name is 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
PubChem CID91657909
Molecular FormulaC13H9F3S
Molecular Weight254.28 g/mol
Exact Mass254.04
IUPAC Name1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1cccc(SCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H9F3S/c14-10-2-1-3-11(7-10)17-8-9-4-5-12(15)13(16)6-9/h1-7H,8H2
InChIKeyZQPOAJGNEBSJBW-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
1-[(3,4-difluorophenyl)methylsulfanyl]-3,5-difluorobenzene
CID 91655670
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
4-[(3,4-difluorophenyl)methylsulfanyl]-2-fluoroaniline
CID 82918266
N-[[3-[(3,4-difluorophenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 82926206
methyl 2-fluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzoate
CID 103749703
2-bromo-1-fluoro-4-[(3-methylphenyl)sulfanylmethyl]benzene
CID 63458750
4-[(3,4-difluorophenyl)methylsulfanyl]benzaldehyde
CID 113384650
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 79134485
3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905
1,2-difluoro-4-(methylsulfanylmethyl)benzene
CID 89093376
3-[(3-bromo-4-fluorophenyl)methylsulfanyl]benzaldehyde
CID 66353241

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene?
The IUPAC name of 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene (CID 91657909) is 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene is Fc1cccc(SCc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene?
The InChIKey is ZQPOAJGNEBSJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3S/c14-10-2-1-3-11(7-10)17-8-9-4-5-12(15)13(16)6-9/h1-7H,8H2.
What are the key properties of 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene?
1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene has a molecular weight of 254.28 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 91657909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).