1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one

C9H8F3NO — CID 15357183

IUPAC1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
SMILESCc1cccnc1CC(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO/c1-6-3-2-4-13-7(6)5-8(14)9(10,11)12/h2-4H,5H2,1H3
InChIKeySAUHFAROYSYCAZ-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.06
Rot. Bonds2

About 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one

1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one (PubChem CID 15357183) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
PubChem CID15357183
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
SMILESCc1cccnc1CC(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO/c1-6-3-2-4-13-7(6)5-8(14)9(10,11)12/h2-4H,5H2,1H3
InChIKeySAUHFAROYSYCAZ-UHFFFAOYSA-N
XLogP2.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
1,1,1-trifluoro-3-(3-nitro-2-pyridinyl)propan-2-one
CID 117047413
1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107982894
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148243
N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148270
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441
1-(3-methyl-2-pyridinyl)decan-2-one
CID 66447638
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
CID 66448021
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide
CID 104857933

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one (CID 15357183) is 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one is Cc1cccnc1CC(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one?
The InChIKey is SAUHFAROYSYCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-6-3-2-4-13-7(6)5-8(14)9(10,11)12/h2-4H,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one?
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one has a molecular weight of 203.16 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 15357183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).