2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C9H8F7NO — CID 103856756

IUPAC2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(N1CC=C(C(F)(F)F)CC1)C(F)(F)C(F)F
InChIInChI=1S/C9H8F7NO/c10-6(11)8(12,13)7(18)17-3-1-5(2-4-17)9(14,15)16/h1,6H,2-4H2
InChIKeyUNISNIAVQMYHLY-UHFFFAOYSA-N
MW279.15 g/mol
LogP2.61
Rot. Bonds2

About 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 103856756) has the molecular formula C9H8F7NO and a molecular weight of 279.15 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID103856756
Molecular FormulaC9H8F7NO
Molecular Weight279.15 g/mol
Exact Mass279.05
IUPAC Name2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(N1CC=C(C(F)(F)F)CC1)C(F)(F)C(F)F
InChIInChI=1S/C9H8F7NO/c10-6(11)8(12,13)7(18)17-3-1-5(2-4-17)9(14,15)16/h1,6H,2-4H2
InChIKeyUNISNIAVQMYHLY-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 52.61
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

3,3,3-Trifluoro-1-[4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyridin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 12828115
1-(5-Ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one
CID 86093580
2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 115772182
3-oxo-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanenitrile
CID 114393287
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propane-1,2-dione
CID 71114237
1-(3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
CID 90743072
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
3,3-difluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,2-dione
CID 118500400
4,4,4-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 121451616
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 103856756) is 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is O=C(N1CC=C(C(F)(F)F)CC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is UNISNIAVQMYHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F7NO/c10-6(11)8(12,13)7(18)17-3-1-5(2-4-17)9(14,15)16/h1,6H,2-4H2.
What are the key properties of 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 279.15 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 103856756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).