(E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one

C10H8F3NO — CID 19554973

IUPAC(E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one
SMILESO=C(/C=C/CC(F)(F)F)c1cccnc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)5-1-4-9(15)8-3-2-6-14-7-8/h1-4,6-7H,5H2/b4-1+
InChIKeyGMOVJBRADAIWGT-DAFODLJHSA-N
MW215.17 g/mol
LogP2.77
Rot. Bonds3

About (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one

(E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one (PubChem CID 19554973) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one
PubChem CID19554973
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name(E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one
SMILESO=C(/C=C/CC(F)(F)F)c1cccnc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)5-1-4-9(15)8-3-2-6-14-7-8/h1-4,6-7H,5H2/b4-1+
InChIKeyGMOVJBRADAIWGT-DAFODLJHSA-N
XLogP2.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 53427422
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
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3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one
CID 123858410
(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethanol
CID 141451458
(E)-5,5,5-trifluoro-1-(1-methylpyrazol-3-yl)pent-2-en-1-one
CID 19565437
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 78574297
3-[bis(prop-2-enyl)amino]-1-pyridin-3-ylprop-2-en-1-one
CID 68572096
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one?
The IUPAC name of (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one (CID 19554973) is (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one.
What is the SMILES notation for (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one?
The canonical SMILES for (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one is O=C(/C=C/CC(F)(F)F)c1cccnc1.
What is the InChIKey of (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one?
The InChIKey is GMOVJBRADAIWGT-DAFODLJHSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)5-1-4-9(15)8-3-2-6-14-7-8/h1-4,6-7H,5H2/b4-1+.
What are the key properties of (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one?
(E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one has a molecular weight of 215.17 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one is sourced from PubChem (CID 19554973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).