2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene

C19H16F4O2S — CID 10738786

IUPAC2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1
InChIInChI=1S/C19H16F4O2S/c1-26(24,25)14-8-5-12(6-9-14)15-3-2-4-16(15)13-7-10-17(18(20)11-13)19(21,22)23/h5-11H,2-4H2,1H3
InChIKeyAODWJSQKMSAPAO-UHFFFAOYSA-N
MW384.39 g/mol
LogP5.34
Rot. Bonds3

About 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene

2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene (PubChem CID 10738786) has the molecular formula C19H16F4O2S and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene
PubChem CID10738786
Molecular FormulaC19H16F4O2S
Molecular Weight384.39 g/mol
Exact Mass384.08
IUPAC Name2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1
InChIInChI=1S/C19H16F4O2S/c1-26(24,25)14-8-5-12(6-9-14)15-3-2-4-16(15)13-7-10-17(18(20)11-13)19(21,22)23/h5-11H,2-4H2,1H3
InChIKeyAODWJSQKMSAPAO-UHFFFAOYSA-N
XLogP5.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

SC-57666
CID 443373
5-(4-Fluorophenyl)-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene
CID 9851770
3'-Fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
CID 44590437
1-[2-(4-Methylsulfonylphenyl)-1-cyclopentenyl]-4-trifluoromethylbenzene
CID 9947309
1-Methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10403254
4-[2-(3-Fluoro-4-(trifluoromethyl)phenyl)-1-cyclopentenyl]benzenesulfonamide
CID 10596233
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
1-[2-(4-Fluorophenyl)-4,4-dimethyl-1-cyclopentenyl]-4-methylsulfonylbenzene
CID 9841079
1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 9905412
1-Methylsulfanyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 9924251
5-(4-Fluorophenyl)-6-[4-(methylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene
CID 9927912
4-[2-(4-Fluoro-2-methylphenyl)cyclopent-1-en-1-yl]phenyl methyl sulfone
CID 9945403

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene (CID 10738786) is 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene is CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1.
What is the InChIKey of 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene?
The InChIKey is AODWJSQKMSAPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4O2S/c1-26(24,25)14-8-5-12(6-9-14)15-3-2-4-16(15)13-7-10-17(18(20)11-13)19(21,22)23/h5-11H,2-4H2,1H3.
What are the key properties of 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene?
2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene has a molecular weight of 384.39 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 10738786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).