1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene

C15H12ClF3OS — CID 47022779

IUPAC1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
SMILESO=S(Cc1ccc(Cl)cc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3OS/c16-14-6-4-11(5-7-14)9-21(20)10-12-2-1-3-13(8-12)15(17,18)19/h1-8H,9-10H2
InChIKeyQTFFGLRZBOLFPX-UHFFFAOYSA-N
MW332.77 g/mol
LogP4.81
Rot. Bonds4

About 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene

1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene (PubChem CID 47022779) has the molecular formula C15H12ClF3OS and a molecular weight of 332.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
PubChem CID47022779
Molecular FormulaC15H12ClF3OS
Molecular Weight332.77 g/mol
Exact Mass332.02
IUPAC Name1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
SMILESO=S(Cc1ccc(Cl)cc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3OS/c16-14-6-4-11(5-7-14)9-21(20)10-12-2-1-3-13(8-12)15(17,18)19/h1-8H,9-10H2
InChIKeyQTFFGLRZBOLFPX-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene (CID 47022779) is 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene is O=S(Cc1ccc(Cl)cc1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene?
The InChIKey is QTFFGLRZBOLFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3OS/c16-14-6-4-11(5-7-14)9-21(20)10-12-2-1-3-13(8-12)15(17,18)19/h1-8H,9-10H2.
What are the key properties of 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene?
1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene has a molecular weight of 332.77 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 47022779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).