1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C10H12F3NO — CID 118301544

IUPAC1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C10H12F3NO/c1-6(2)8-4-7(10(11,12)13)5-14(3)9(8)15/h4-6H,1-3H3
InChIKeyRDIRLFIHYHHTKJ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.53
Rot. Bonds1

About 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 118301544) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID118301544
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C10H12F3NO/c1-6(2)8-4-7(10(11,12)13)5-14(3)9(8)15/h4-6H,1-3H3
InChIKeyRDIRLFIHYHHTKJ-UHFFFAOYSA-N
XLogP2.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747
5-Propan-2-yl-1-(trifluoromethyl)pyridin-2-one
CID 58450097
5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 58592703
1-(2-Methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 67473511
5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 70811435
1-Methyl-3,5-bis(trifluoromethyl)pyridine-2(1H)-one
CID 71737237
1,6-Dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 89458525
5-Tert-butyl-1-(difluoromethyl)pyridin-2-one
CID 89639704
5-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 89642068
1-(Difluoromethyl)-5-ethylpyridin-2-one
CID 89642072

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 118301544) is 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC(C)c1cc(C(F)(F)F)cn(C)c1=O.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is RDIRLFIHYHHTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(2)8-4-7(10(11,12)13)5-14(3)9(8)15/h4-6H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 118301544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).