1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one

C8H9F4NO — CID 103947495

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESO=C(N1CC=CCC1)C(F)(F)C(F)F
InChIInChI=1S/C8H9F4NO/c9-6(10)8(11,12)7(14)13-4-2-1-3-5-13/h1-2,6H,3-5H2
InChIKeyQVSLIKAGCZLFRK-UHFFFAOYSA-N
MW211.16 g/mol
LogP1.68
Rot. Bonds2

About 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one

1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one (PubChem CID 103947495) has the molecular formula C8H9F4NO and a molecular weight of 211.16 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
PubChem CID103947495
Molecular FormulaC8H9F4NO
Molecular Weight211.16 g/mol
Exact Mass211.06
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESO=C(N1CC=CCC1)C(F)(F)C(F)F
InChIInChI=1S/C8H9F4NO/c9-6(10)8(11,12)7(14)13-4-2-1-3-5-13/h1-2,6H,3-5H2
InChIKeyQVSLIKAGCZLFRK-UHFFFAOYSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanone, 1-(1,2,5,6-tetrahydro-trans-2,6-diallyl-1-pyridyl)-2,2,2-trifluoro-
CID 612643
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3,3,3-Trifluoro-1-[5-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyridin-1-yl]-2-(trifluoromethyl)propan-1-one
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1-[(2S,6S)-2,6-di(prop-2-en-1-yl)-3,6-dihydropyridin-1(2H)-yl]-2,2,2-trifluoroethanone
CID 17385721
1-(5-Ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one
CID 86093580
2,3,3,3-tetrafluoro-N,N-bis(prop-2-enyl)propanamide
CID 88390841
1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
CID 90743072
1,3-Difluoro-2,5-dihydropyridin-6-one
CID 91807747
2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 106316942
2,2,2-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 115768355
1-(3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-one
CID 117950859
4,4,4-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one (CID 103947495) is 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one is O=C(N1CC=CCC1)C(F)(F)C(F)F.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
The InChIKey is QVSLIKAGCZLFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NO/c9-6(10)8(11,12)7(14)13-4-2-1-3-5-13/h1-2,6H,3-5H2.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one has a molecular weight of 211.16 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,3,3-tetrafluoropropan-1-one is sourced from PubChem (CID 103947495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).