1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol

C10H10F3NO — CID 85357126

IUPAC1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol
SMILESC=CC(C(O)c1cccnc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-2-8(10(11,12)13)9(15)7-4-3-5-14-6-7/h2-6,8-9,15H,1H2
InChIKeyUCBCDIMCAFYORK-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.48
Rot. Bonds3

About 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol

1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol (PubChem CID 85357126) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol.

Molecular Properties

Compound Name1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol
PubChem CID85357126
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol
SMILESC=CC(C(O)c1cccnc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-2-8(10(11,12)13)9(15)7-4-3-5-14-6-7/h2-6,8-9,15H,1H2
InChIKeyUCBCDIMCAFYORK-UHFFFAOYSA-N
XLogP2.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 132535360
(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 15261007
(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol
CID 134968632
(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
CID 124567765
N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
CID 131036778
CID 58450224
CID 58450224
2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol
CID 164650292
(E)-1-pyridin-3-ylpent-3-ene-1,2-diol
CID 130127875
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
(Z)-1-pyridin-3-ylbut-2-en-1-ol
CID 45079933
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol?
The IUPAC name of 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol (CID 85357126) is 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol.
What is the SMILES notation for 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol?
The canonical SMILES for 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol is C=CC(C(O)c1cccnc1)C(F)(F)F.
What is the InChIKey of 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol?
The InChIKey is UCBCDIMCAFYORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-2-8(10(11,12)13)9(15)7-4-3-5-14-6-7/h2-6,8-9,15H,1H2.
What are the key properties of 1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol?
1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol has a molecular weight of 217.19 g/mol, XLogP of 2.48, 3 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-(trifluoromethyl)but-3-en-1-ol is sourced from PubChem (CID 85357126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).