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

C13H9ClF2S — CID 91656407

IUPAC4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1ccc(SCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H9ClF2S/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2
InChIKeyXQXIPWGIGLJEEY-UHFFFAOYSA-N
MW270.73 g/mol
LogP4.91
Rot. Bonds3

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

4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene (PubChem CID 91656407) has the molecular formula C13H9ClF2S and a molecular weight of 270.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
PubChem CID91656407
Molecular FormulaC13H9ClF2S
Molecular Weight270.73 g/mol
Exact Mass270.01
IUPAC Name4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1ccc(SCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H9ClF2S/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2
InChIKeyXQXIPWGIGLJEEY-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

4-chloro-1-[(3,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 91657414
[4-[(4-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114859715
4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 55027326
3-[(4-chloro-2-fluorophenyl)methylsulfanyl]-5-fluoroaniline
CID 114849718
1-chloro-3-[(2,4-difluorophenyl)methylsulfanyl]-5-fluorobenzene
CID 91657426
N-[[4-[(4-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 114859726
1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91658314
1-chloro-3-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91655656
4-bromo-1-[(3-chlorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 63458635
[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 62645603
4-chloro-2-[[4-(dimethoxymethyl)phenyl]sulfanylmethyl]-1-fluorobenzene
CID 103050213
3-fluoro-4-[(4-hydroxyphenyl)sulfanylmethyl]benzoic acid
CID 71089344

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene?
The IUPAC name of 4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene (CID 91656407) is 4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene is Fc1ccc(SCc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene?
The InChIKey is XQXIPWGIGLJEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2S/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2.
What are the key properties of 4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene?
4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]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 4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 91656407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).