3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C20H14ClF3O2S — CID 3423254

IUPAC3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CC(Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C20H14ClF3O2S/c21-15-7-9-16(10-8-15)27-19(12-17(25)18-2-1-11-26-18)13-3-5-14(6-4-13)20(22,23)24/h1-11,19H,12H2
InChIKeyUOILWVIASYOOBH-UHFFFAOYSA-N
MW410.84 g/mol
LogP7.06
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 3423254) has the molecular formula C20H14ClF3O2S and a molecular weight of 410.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID3423254
Molecular FormulaC20H14ClF3O2S
Molecular Weight410.84 g/mol
Exact Mass410.04
IUPAC Name3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CC(Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C20H14ClF3O2S/c21-15-7-9-16(10-8-15)27-19(12-17(25)18-2-1-11-26-18)13-3-5-14(6-4-13)20(22,23)24/h1-11,19H,12H2
InChIKeyUOILWVIASYOOBH-UHFFFAOYSA-N
XLogP7.06
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.84
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3,4-dimethoxyphenyl)-1-(furan-2-yl)-3-(4-methylphenyl)sulfanylpropan-1-one
CID 1184773
2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153
1-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 106584717
(3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
CID 2147379
(3S)-3-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)-1-pyridin-4-ylpropan-1-one
CID 1183330
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
2-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylacetic acid
CID 71680534
(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one
CID 2354028
3-(4-chlorophenyl)-1-(furan-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 3133583
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546648

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 3423254) is 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is O=C(CC(Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is UOILWVIASYOOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3O2S/c21-15-7-9-16(10-8-15)27-19(12-17(25)18-2-1-11-26-18)13-3-5-14(6-4-13)20(22,23)24/h1-11,19H,12H2.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 410.84 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 3423254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).