2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane

C20H19F3O — CID 102129461

IUPAC2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
SMILESCc1ccc(/C(=C\C2CCCO2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H19F3O/c1-14-4-6-15(7-5-14)19(13-18-3-2-12-24-18)16-8-10-17(11-9-16)20(21,22)23/h4-11,13,18H,2-3,12H2,1H3/b19-13+
InChIKeyNOQGTDLBLWIHKR-CPNJWEJPSA-N
MW332.37 g/mol
LogP5.62
Rot. Bonds3

About 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane

2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane (PubChem CID 102129461) has the molecular formula C20H19F3O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane.

Molecular Properties

Compound Name2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
PubChem CID102129461
Molecular FormulaC20H19F3O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
SMILESCc1ccc(/C(=C\C2CCCO2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H19F3O/c1-14-4-6-15(7-5-14)19(13-18-3-2-12-24-18)16-8-10-17(11-9-16)20(21,22)23/h4-11,13,18H,2-3,12H2,1H3/b19-13+
InChIKeyNOQGTDLBLWIHKR-CPNJWEJPSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene
CID 134907901
1-(Methoxy(phenyl)methyl)-4-(trifluoromethyl)benzene
CID 90813207
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
CID 11550489
(2R,6S)-2-(2-phenylethyl)-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran
CID 12139281
[(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene
CID 15402482
(2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane
CID 45277706
4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran
CID 46197274
(2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane
CID 72708027
1-[4-(Trifluoromethyl)phenyl]-1-(benzyloxy)-3-phenylpropane
CID 77986429
(4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane
CID 102063740
(3,3-Difluoro-2-phenylmethoxynonyl)benzene
CID 102107447
1-(Isopropoxy(phenyl)methyl)-4-(trifluoromethyl)benzene
CID 124081653

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane?
The IUPAC name of 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane (CID 102129461) is 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane.
What is the SMILES notation for 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane?
The canonical SMILES for 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane is Cc1ccc(/C(=C\C2CCCO2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane?
The InChIKey is NOQGTDLBLWIHKR-CPNJWEJPSA-N. The full InChI is InChI=1S/C20H19F3O/c1-14-4-6-15(7-5-14)19(13-18-3-2-12-24-18)16-8-10-17(11-9-16)20(21,22)23/h4-11,13,18H,2-3,12H2,1H3/b19-13+.
What are the key properties of 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane?
2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane has a molecular weight of 332.37 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane is sourced from PubChem (CID 102129461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).