acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol

C14H17F3O3 — CID 71419729

IUPACacetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol
SMILESCC(=O)O.OCC=C(CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F3O.C2H4O2/c13-12(14,15)11(8-9-16)7-6-10-4-2-1-3-5-10;1-2(3)4/h1-5,8,16H,6-7,9H2;1H3,(H,3,4)
InChIKeyVEMOHJKVFHNQOP-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.19
Rot. Bonds4

About acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol

acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol (PubChem CID 71419729) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol
PubChem CID71419729
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Nameacetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol
SMILESCC(=O)O.OCC=C(CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F3O.C2H4O2/c13-12(14,15)11(8-9-16)7-6-10-4-2-1-3-5-10;1-2(3)4/h1-5,8,16H,6-7,9H2;1H3,(H,3,4)
InChIKeyVEMOHJKVFHNQOP-UHFFFAOYSA-N
XLogP3.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830
(E)-4-methyl-6-phenylhex-3-enoic acid
CID 129195259
4-phenylbutan-2-one;prop-1-ene
CID 166128425
4,4-dimethyl-7-phenylheptane-2,5-dione
CID 166439938
(E)-3-benzyl-4,4,4-trifluorobut-2-enoic acid
CID 68536678
ethyl 2,2-difluoro-3-oxo-5-phenylpentanoate
CID 11436773
1-phenyl-5-(trifluoromethyl)hex-5-en-3-one
CID 162540058
[(E)-5-nitro-4-(trifluoromethyl)pent-4-enyl]benzene
CID 125475994
[4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene
CID 162539063
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
1,1,1,4-tetraphenylbutan-2-one
CID 140502086
phenol;4-phenylbutan-2-one
CID 160537429

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol?
The IUPAC name of acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol (CID 71419729) is acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol.
What is the SMILES notation for acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol?
The canonical SMILES for acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol is CC(=O)O.OCC=C(CCc1ccccc1)C(F)(F)F.
What is the InChIKey of acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol?
The InChIKey is VEMOHJKVFHNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O.C2H4O2/c13-12(14,15)11(8-9-16)7-6-10-4-2-1-3-5-10;1-2(3)4/h1-5,8,16H,6-7,9H2;1H3,(H,3,4).
What are the key properties of acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol?
acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol has a molecular weight of 290.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol is sourced from PubChem (CID 71419729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).