1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene

C13H10ClFS — CID 10944930

IUPAC1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene
SMILESFC(Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFS/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9,13H
InChIKeyWVRZZRWFSDACLR-UHFFFAOYSA-N
MW252.74 g/mol
LogP5.10
Rot. Bonds3

About 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene

1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene (PubChem CID 10944930) has the molecular formula C13H10ClFS and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene
PubChem CID10944930
Molecular FormulaC13H10ClFS
Molecular Weight252.74 g/mol
Exact Mass252.02
IUPAC Name1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene
SMILESFC(Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFS/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9,13H
InChIKeyWVRZZRWFSDACLR-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.74
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorbenside
CID 7639
Fluorbenside
CID 9836
p-Chlorobenzyl-p-chlorophenyl sulfone
CID 96162
2,4-Dichloro-1-(((2,4-dichlorobenzyl)thio)methyl)benzene
CID 223826
1-(Benzenesulfinylmethyl)-4-chlorobenzene
CID 228204
1,3-Di(4-chloro-benzyl)trisulfane
CID 44416171
1-[(4-Chlorophenyl)methylsulfinyl]-4-methylbenzene
CID 44522627
2-(4-Chlorophenyl)-1,3-dithiane
CID 25199
1-Chloro-4-[(methylthio)methyl]benzene
CID 80025
4-Chlorobenzyl phenyl sulfide
CID 817805
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene
CID 13433971
4-[(4-Chlorophenyl)methylsulfanyl]benzonitrile
CID 55471034

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene (CID 10944930) is 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene is FC(Sc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene?
The InChIKey is WVRZZRWFSDACLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFS/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9,13H.
What are the key properties of 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene?
1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene has a molecular weight of 252.74 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene is sourced from PubChem (CID 10944930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).