2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene

C13H9ClF2OS — CID 103041733

IUPAC2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C13H9ClF2OS/c14-12-6-9(4-5-13(12)16)8-18(17)11-3-1-2-10(15)7-11/h1-7H,8H2
InChIKeyWHSNBJDYZRUJEZ-UHFFFAOYSA-N
MW286.73 g/mol
LogP3.93
Rot. Bonds3

About 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene

2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene (PubChem CID 103041733) has the molecular formula C13H9ClF2OS and a molecular weight of 286.73 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene
PubChem CID103041733
Molecular FormulaC13H9ClF2OS
Molecular Weight286.73 g/mol
Exact Mass286.00
IUPAC Name2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C13H9ClF2OS/c14-12-6-9(4-5-13(12)16)8-18(17)11-3-1-2-10(15)7-11/h1-7H,8H2
InChIKeyWHSNBJDYZRUJEZ-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene?
The IUPAC name of 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene (CID 103041733) is 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene is O=S(Cc1ccc(F)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene?
The InChIKey is WHSNBJDYZRUJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2OS/c14-12-6-9(4-5-13(12)16)8-18(17)11-3-1-2-10(15)7-11/h1-7H,8H2.
What are the key properties of 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene?
2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene has a molecular weight of 286.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-[(3-fluorophenyl)sulfinylmethyl]benzene is sourced from PubChem (CID 103041733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).