(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol

C11H11F3O — CID 169226625

IUPAC(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol
SMILESCC(O)(/C=C/C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F3O/c1-10(15,7-8-11(12,13)14)9-5-3-2-4-6-9/h2-8,15H,1H3/b8-7+
InChIKeyYGVUGEMVTFDWSS-BQYQJAHWSA-N
MW216.20 g/mol
LogP3.01
Rot. Bonds2

About (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol

(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol (PubChem CID 169226625) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol
PubChem CID169226625
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol
SMILESCC(O)(/C=C/C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F3O/c1-10(15,7-8-11(12,13)14)9-5-3-2-4-6-9/h2-8,15H,1H3/b8-7+
InChIKeyYGVUGEMVTFDWSS-BQYQJAHWSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-chloro-2-phenylpent-3-en-2-ol
CID 13026738
4,4-bis(methylsulfanyl)-2-phenylbut-3-en-2-ol
CID 13465706
1,1-difluoroethylbenzene
CID 10942535
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
5,5,5-trifluoro-2-phenylpent-3-yn-2-ol
CID 4084211
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
(2R)-3,3,3-trifluoro-2-methyl-2-phenylpropanoate
CID 101271066
ethane;bis(trifluoromethylbenzene)
CID 142912000

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol?
The IUPAC name of (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol (CID 169226625) is (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol.
What is the SMILES notation for (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol?
The canonical SMILES for (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol is CC(O)(/C=C/C(F)(F)F)c1ccccc1.
What is the InChIKey of (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol?
The InChIKey is YGVUGEMVTFDWSS-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H11F3O/c1-10(15,7-8-11(12,13)14)9-5-3-2-4-6-9/h2-8,15H,1H3/b8-7+.
What are the key properties of (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol?
(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol has a molecular weight of 216.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol is sourced from PubChem (CID 169226625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).