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

C19H16F4O2S — CID 22917511

IUPAC1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(F)C2)cc1
InChIInChI=1S/C19H16F4O2S/c1-26(24,25)16-8-4-13(5-9-16)18-11-15(20)10-17(18)12-2-6-14(7-3-12)19(21,22)23/h2-9,15H,10-11H2,1H3
InChIKeyDPWXXJNUDZJUTL-UHFFFAOYSA-N
MW384.39 g/mol
LogP5.15
Rot. Bonds3

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

1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene (PubChem CID 22917511) has the molecular formula C19H16F4O2S and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene
PubChem CID22917511
Molecular FormulaC19H16F4O2S
Molecular Weight384.39 g/mol
Exact Mass384.08
IUPAC Name1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(F)C2)cc1
InChIInChI=1S/C19H16F4O2S/c1-26(24,25)16-8-4-13(5-9-16)18-11-15(20)10-17(18)12-2-6-14(7-3-12)19(21,22)23/h2-9,15H,10-11H2,1H3
InChIKeyDPWXXJNUDZJUTL-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
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

1-[4-methyl-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene
CID 22917692
1-[3-fluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-(trifluoromethyl)benzene
CID 23370279
1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene
CID 91052710
4-[4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917529
2-methyl-4-methylsulfonyl-1-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzene
CID 159398618
1-[3-methyl-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]-4-(trifluoromethyl)benzene
CID 23370383
trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane
CID 130344307
2-[4,4-difluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-5-(trifluoromethyl)pyridine
CID 22917293
1-(1,1-difluoroethyl)-4-methylsulfonylbenzene
CID 116841572
2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline
CID 16754337
3-(6-methylsulfonyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid
CID 22917568
[3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]methanediol
CID 19935679

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene (CID 22917511) is 1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene is CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(F)C2)cc1.
What is the InChIKey of 1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene?
The InChIKey is DPWXXJNUDZJUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4O2S/c1-26(24,25)16-8-4-13(5-9-16)18-11-15(20)10-17(18)12-2-6-14(7-3-12)19(21,22)23/h2-9,15H,10-11H2,1H3.
What are the key properties of 1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene?
1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene has a molecular weight of 384.39 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 22917511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).