2-phenyl-3-(trifluoromethyl)but-3-en-1-ol

C11H11F3O — CID 101388260

IUPAC2-phenyl-3-(trifluoromethyl)but-3-en-1-ol
SMILESC=C(C(CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-8(11(12,13)14)10(7-15)9-5-3-2-4-6-9/h2-6,10,15H,1,7H2
InChIKeyZFEFQIFUEUWJQL-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.88
Rot. Bonds3

About 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol

2-phenyl-3-(trifluoromethyl)but-3-en-1-ol (PubChem CID 101388260) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol.

Molecular Properties

Compound Name2-phenyl-3-(trifluoromethyl)but-3-en-1-ol
PubChem CID101388260
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2-phenyl-3-(trifluoromethyl)but-3-en-1-ol
SMILESC=C(C(CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-8(11(12,13)14)10(7-15)9-5-3-2-4-6-9/h2-6,10,15H,1,7H2
InChIKeyZFEFQIFUEUWJQL-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.88
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

4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
CID 162540052
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
CID 87209027
CID 87209027
[1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene
CID 139250875
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091
4,4,4-trifluoro-2-phenylbutanoic acid
CID 59415192
(2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol
CID 100941135
[2-ethenyl-3-(trifluoromethyl)but-3-enyl]benzene
CID 166944692
ethenyl 3-hydroxy-2-phenylpropanoate
CID 168863164
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
CID 167776266
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol?
The IUPAC name of 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol (CID 101388260) is 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol.
What is the SMILES notation for 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol?
The canonical SMILES for 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol is C=C(C(CO)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol?
The InChIKey is ZFEFQIFUEUWJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-8(11(12,13)14)10(7-15)9-5-3-2-4-6-9/h2-6,10,15H,1,7H2.
What are the key properties of 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol?
2-phenyl-3-(trifluoromethyl)but-3-en-1-ol has a molecular weight of 216.20 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trifluoromethyl)but-3-en-1-ol is sourced from PubChem (CID 101388260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).