1-chloro-4-(trifluoromethylsulfinyl)benzene

C7H4ClF3OS — CID 2777820

IUPAC1-chloro-4-(trifluoromethylsulfinyl)benzene
SMILESO=S(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C7H4ClF3OS/c8-5-1-3-6(4-2-5)13(12)7(9,10)11/h1-4H
InChIKeyPQEHUUVWOJMAGQ-UHFFFAOYSA-N
MW228.62 g/mol
LogP2.97
Rot. Bonds1

About 1-chloro-4-(trifluoromethylsulfinyl)benzene

1-chloro-4-(trifluoromethylsulfinyl)benzene (PubChem CID 2777820) has the molecular formula C7H4ClF3OS and a molecular weight of 228.62 g/mol. Its IUPAC name is 1-chloro-4-(trifluoromethylsulfinyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(trifluoromethylsulfinyl)benzene
PubChem CID2777820
Molecular FormulaC7H4ClF3OS
Molecular Weight228.62 g/mol
Exact Mass227.96
IUPAC Name1-chloro-4-(trifluoromethylsulfinyl)benzene
SMILESO=S(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C7H4ClF3OS/c8-5-1-3-6(4-2-5)13(12)7(9,10)11/h1-4H
InChIKeyPQEHUUVWOJMAGQ-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.62
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(trifluoromethylsulfinyl)benzene?
The IUPAC name of 1-chloro-4-(trifluoromethylsulfinyl)benzene (CID 2777820) is 1-chloro-4-(trifluoromethylsulfinyl)benzene.
What is the SMILES notation for 1-chloro-4-(trifluoromethylsulfinyl)benzene?
The canonical SMILES for 1-chloro-4-(trifluoromethylsulfinyl)benzene is O=S(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-chloro-4-(trifluoromethylsulfinyl)benzene?
The InChIKey is PQEHUUVWOJMAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3OS/c8-5-1-3-6(4-2-5)13(12)7(9,10)11/h1-4H.
What are the key properties of 1-chloro-4-(trifluoromethylsulfinyl)benzene?
1-chloro-4-(trifluoromethylsulfinyl)benzene has a molecular weight of 228.62 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(trifluoromethylsulfinyl)benzene is sourced from PubChem (CID 2777820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).