1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone

C15H10ClF3OS — CID 173184639

IUPAC1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
SMILESO=C(CSc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF3OS/c16-12-6-4-10(5-7-12)14(20)9-21-13-3-1-2-11(8-13)15(17,18)19/h1-8H,9H2
InChIKeyLJOQDPQMWPZJKU-UHFFFAOYSA-N
MW330.76 g/mol
LogP5.33
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone

1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (PubChem CID 173184639) has the molecular formula C15H10ClF3OS and a molecular weight of 330.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
PubChem CID173184639
Molecular FormulaC15H10ClF3OS
Molecular Weight330.76 g/mol
Exact Mass330.01
IUPAC Name1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
SMILESO=C(CSc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF3OS/c16-12-6-4-10(5-7-12)14(20)9-21-13-3-1-2-11(8-13)15(17,18)19/h1-8H,9H2
InChIKeyLJOQDPQMWPZJKU-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.76
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
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3-[3-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 2817407
2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 141495057
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43413042
1-[[2-(3-chlorophenyl)sulfanylacetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 134112085
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
1-(4-fluoro-3-methylphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072671
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2467407
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (CID 173184639) is 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is O=C(CSc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The InChIKey is LJOQDPQMWPZJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3OS/c16-12-6-4-10(5-7-12)14(20)9-21-13-3-1-2-11(8-13)15(17,18)19/h1-8H,9H2.
What are the key properties of 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone has a molecular weight of 330.76 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is sourced from PubChem (CID 173184639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).