2-chloro-1-fluoro-4-methylsulfinylbenzene

C7H6ClFOS — CID 130622435

IUPAC2-chloro-1-fluoro-4-methylsulfinylbenzene
SMILESCS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClFOS/c1-11(10)5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKeyNDLKDYXUKLSWJO-UHFFFAOYSA-N
MW192.64 g/mol
LogP2.22
Rot. Bonds1

About 2-chloro-1-fluoro-4-methylsulfinylbenzene

2-chloro-1-fluoro-4-methylsulfinylbenzene (PubChem CID 130622435) has the molecular formula C7H6ClFOS and a molecular weight of 192.64 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-methylsulfinylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-methylsulfinylbenzene
PubChem CID130622435
Molecular FormulaC7H6ClFOS
Molecular Weight192.64 g/mol
Exact Mass191.98
IUPAC Name2-chloro-1-fluoro-4-methylsulfinylbenzene
SMILESCS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClFOS/c1-11(10)5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKeyNDLKDYXUKLSWJO-UHFFFAOYSA-N
XLogP2.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide
CID 51191615
1-(2-chloro-5-methylsulfinylphenyl)ethanone
CID 23464958
methyl 2-acetamido-3-(3-chloro-4-fluorophenyl)sulfinylpropanoate
CID 115477184
2-chloro-4-(2,2-diethoxyethylsulfinyl)-1-fluorobenzene
CID 115477393
ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate
CID 115477193
ethyl 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylpropanoate
CID 113318090
2-fluoro-4-methylsulfinylbenzonitrile
CID 174846235
ethane;1-fluoro-4-methylsulfinylbenzene
CID 144882301
2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one
CID 115477455
2-(3-chloro-4-fluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine
CID 115477372
5-(3-chloro-4-fluorophenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 115477293
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol
CID 115477533

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-methylsulfinylbenzene?
The IUPAC name of 2-chloro-1-fluoro-4-methylsulfinylbenzene (CID 130622435) is 2-chloro-1-fluoro-4-methylsulfinylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-methylsulfinylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-methylsulfinylbenzene is CS(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-methylsulfinylbenzene?
The InChIKey is NDLKDYXUKLSWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFOS/c1-11(10)5-2-3-7(9)6(8)4-5/h2-4H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-methylsulfinylbenzene?
2-chloro-1-fluoro-4-methylsulfinylbenzene has a molecular weight of 192.64 g/mol, XLogP of 2.22, 1 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-methylsulfinylbenzene is sourced from PubChem (CID 130622435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).