3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one

C10H10F3NO — CID 174395736

IUPAC3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccnc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-9(2,10(11,12)13)8(15)7-4-3-5-14-6-7/h3-6H,1-2H3
InChIKeyYJKGXDPWZYDMKS-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.85
Rot. Bonds2

About 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one

3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one (PubChem CID 174395736) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one
PubChem CID174395736
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccnc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-9(2,10(11,12)13)8(15)7-4-3-5-14-6-7/h3-6H,1-2H3
InChIKeyYJKGXDPWZYDMKS-UHFFFAOYSA-N
XLogP2.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

nickel;pyridine-3-carboxylic acid
CID 174049937
2,2,2-tris(methylsulfanyl)-1-pyridin-3-ylethanone
CID 10355220
CID 157283677
CID 157283677
2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
CID 116557032
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
(3-fluoro-3-methylbutyl) pyridine-3-carboxylate
CID 146343265
sodium 2-amino-2-(pyridine-3-carbonyl)butanoate
CID 68762841
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
iodoethane;pyridine-3-carboxylic acid
CID 158495952
N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 71032143
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one (CID 174395736) is 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one is CC(C)(C(=O)c1cccnc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one?
The InChIKey is YJKGXDPWZYDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-9(2,10(11,12)13)8(15)7-4-3-5-14-6-7/h3-6H,1-2H3.
What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one?
3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one has a molecular weight of 217.19 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 174395736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).