1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene

C24H21F3 — CID 143439424

IUPAC1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene
SMILESC/C(=C\C(C)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21F3/c1-17(16-18(2)20-12-14-23(15-13-20)24(25,26)27)19-8-10-22(11-9-19)21-6-4-3-5-7-21/h3-16,18H,1-2H3/b17-16+
InChIKeyARVDPEYJEFXRTI-WUKNDPDISA-N
MW366.43 g/mol
LogP7.58
Rot. Bonds4

About 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene

1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene (PubChem CID 143439424) has the molecular formula C24H21F3 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene
PubChem CID143439424
Molecular FormulaC24H21F3
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene
SMILESC/C(=C\C(C)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21F3/c1-17(16-18(2)20-12-14-23(15-13-20)24(25,26)27)19-8-10-22(11-9-19)21-6-4-3-5-7-21/h3-16,18H,1-2H3/b17-16+
InChIKeyARVDPEYJEFXRTI-WUKNDPDISA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
1-(1-fluoroprop-1-en-2-yl)-4-phenylbenzene
CID 134863084
1,1,1-trifluoro-4-phenylpent-3-en-2-ol
CID 54050164
N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11779029
methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
CID 69400035
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
(2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid
CID 143039243
3-[4-(trifluoromethyl)phenyl]but-2-enal
CID 54172947
3-[(4-phenylbenzoyl)amino]-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 87913293
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
CID 101352816
CID 101352816
1,1-difluoro-1-(4-phenylphenyl)propan-2-one
CID 71022279

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene?
The IUPAC name of 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene (CID 143439424) is 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene.
What is the SMILES notation for 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene?
The canonical SMILES for 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene is C/C(=C\C(C)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene?
The InChIKey is ARVDPEYJEFXRTI-WUKNDPDISA-N. The full InChI is InChI=1S/C24H21F3/c1-17(16-18(2)20-12-14-23(15-13-20)24(25,26)27)19-8-10-22(11-9-19)21-6-4-3-5-7-21/h3-16,18H,1-2H3/b17-16+.
What are the key properties of 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene?
1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene has a molecular weight of 366.43 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene is sourced from PubChem (CID 143439424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).