2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C9H10F5NO — CID 106316946

IUPAC2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC1=CCCN(C(=O)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C9H10F5NO/c1-6-3-2-4-15(5-6)7(16)8(10,11)9(12,13)14/h3H,2,4-5H2,1H3
InChIKeyUOTYVNWIOSEKCS-UHFFFAOYSA-N
MW243.17 g/mol
LogP2.36
Rot. Bonds1

About 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 106316946) has the molecular formula C9H10F5NO and a molecular weight of 243.17 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID106316946
Molecular FormulaC9H10F5NO
Molecular Weight243.17 g/mol
Exact Mass243.07
IUPAC Name2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC1=CCCN(C(=O)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C9H10F5NO/c1-6-3-2-4-15(5-6)7(16)8(10,11)9(12,13)14/h3H,2,4-5H2,1H3
InChIKeyUOTYVNWIOSEKCS-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 52.36
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
3,3,3-Trifluoro-1-[5-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyridin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 12828116
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
(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide
CID 23266375
(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266376
(Z)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266377
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propane-1,2-dione
CID 71114237
1-Ethyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 90078409
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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 106316946) is 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is CC1=CCCN(C(=O)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is UOTYVNWIOSEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5NO/c1-6-3-2-4-15(5-6)7(16)8(10,11)9(12,13)14/h3H,2,4-5H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 243.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 106316946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).