[5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone

C25H17F5O — CID 90798691

IUPAC[5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCc1cc(F)ccc1C1CC(c2ccc(F)cc2)C=C1C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C25H17F5O/c1-13-8-17(27)6-7-19(13)20-9-15(14-2-4-16(26)5-3-14)10-21(20)25(31)24-22(29)11-18(28)12-23(24)30/h2-8,10-12,15,20H,9H2,1H3
InChIKeyLVXMXNQIWVHBBP-UHFFFAOYSA-N
MW428.40 g/mol
LogP6.77
Rot. Bonds4

About [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone

[5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone (PubChem CID 90798691) has the molecular formula C25H17F5O and a molecular weight of 428.40 g/mol. Its IUPAC name is [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name[5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone
PubChem CID90798691
Molecular FormulaC25H17F5O
Molecular Weight428.40 g/mol
Exact Mass428.12
IUPAC Name[5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCc1cc(F)ccc1C1CC(c2ccc(F)cc2)C=C1C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C25H17F5O/c1-13-8-17(27)6-7-19(13)20-9-15(14-2-4-16(26)5-3-14)10-21(20)25(31)24-22(29)11-18(28)12-23(24)30/h2-8,10-12,15,20H,9H2,1H3
InChIKeyLVXMXNQIWVHBBP-UHFFFAOYSA-N
XLogP6.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone with MolForge

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Related Compounds

1-[2-ethyl-3-[4-(4-fluorophenyl)-2-(2,4,6-trifluorobenzoyl)cyclopent-2-en-1-yl]phenyl]decan-3-one
CID 90928201
1-[3-[2-[3-[4-(4-fluorophenyl)-2-(2,4,6-trifluorobenzoyl)cyclopent-2-en-1-yl]-2-methoxyphenyl]ethyl]phenyl]propan-2-one
CID 90826257
1-[2-[4-(4-fluorophenyl)-2-(2,4,6-trifluorobenzoyl)cyclopent-2-en-1-yl]phenoxy]nonane-2,6-dione
CID 91406001
ethyl 2-[3-[2-[3-[4-(4-fluorophenyl)-2-(2,4,6-trifluorobenzoyl)cyclopent-2-en-1-yl]-2-methoxyphenyl]ethyl]phenyl]acetate
CID 90745711
1-[3-[4-(4-fluorophenyl)-2-(2,4,5-trifluoro-3-methoxybenzoyl)cyclopent-2-en-1-yl]-2-methoxyphenoxy]propan-2-one
CID 91566782
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
2,4-difluoro-6-methylbenzoic acid
CID 119005612
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
(2,4-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338550
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
(4S)-4-(2,4-difluorophenyl)-2-methylcyclohex-2-en-1-one
CID 950685
6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid
CID 112574456

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone (CID 90798691) is [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone is Cc1cc(F)ccc1C1CC(c2ccc(F)cc2)C=C1C(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone?
The InChIKey is LVXMXNQIWVHBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F5O/c1-13-8-17(27)6-7-19(13)20-9-15(14-2-4-16(26)5-3-14)10-21(20)25(31)24-22(29)11-18(28)12-23(24)30/h2-8,10-12,15,20H,9H2,1H3.
What are the key properties of [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone?
[5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone has a molecular weight of 428.40 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)cyclopenten-1-yl]-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 90798691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).