1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

C16H14F3NO — CID 132535360

IUPAC1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESC=CC(c1ccc(C(F)(F)F)cc1)C(O)c1cccnc1
InChIInChI=1S/C16H14F3NO/c1-2-14(15(21)12-4-3-9-20-10-12)11-5-7-13(8-6-11)16(17,18)19/h2-10,14-15,21H,1H2
InChIKeyUDPVLHYTXKFXAV-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.10
Rot. Bonds4

About 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 132535360) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID132535360
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESC=CC(c1ccc(C(F)(F)F)cc1)C(O)c1cccnc1
InChIInChI=1S/C16H14F3NO/c1-2-14(15(21)12-4-3-9-20-10-12)11-5-7-13(8-6-11)16(17,18)19/h2-10,14-15,21H,1H2
InChIKeyUDPVLHYTXKFXAV-UHFFFAOYSA-N
XLogP4.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 85357126
(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol
CID 134968632
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
2-bromo-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 162536699
2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
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(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
CID 124567765
dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191
(2S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 71720882
(2R)-2-pyridin-3-yl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]propanamide
CID 124733846
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541
formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 175894605

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (CID 132535360) is 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is C=CC(c1ccc(C(F)(F)F)cc1)C(O)c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is UDPVLHYTXKFXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-2-14(15(21)12-4-3-9-20-10-12)11-5-7-13(8-6-11)16(17,18)19/h2-10,14-15,21H,1H2.
What are the key properties of 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 293.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 132535360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).