2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one

C10H10F3NO — CID 67968360

IUPAC2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
SMILESCC(C)C(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO/c1-6(2)9(15)7-4-3-5-8(14-7)10(11,12)13/h3-6H,1-2H3
InChIKeyWXRLQKLXSAZMJQ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.94
Rot. Bonds2

About 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one

2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one (PubChem CID 67968360) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
PubChem CID67968360
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
SMILESCC(C)C(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO/c1-6(2)9(15)7-4-3-5-8(14-7)10(11,12)13/h3-6H,1-2H3
InChIKeyWXRLQKLXSAZMJQ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(trifluoromethyl)pyridine-2-carbonyl fluoride
CID 174756442
1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate
CID 174625621
N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171677155
2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
CID 123230614
3-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-one
CID 135265126
2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166454638
2-bromo-1-[6-(2-bromopropanoyl)-2-pyridinyl]propan-1-one
CID 58017873
2-methyl-1-(6-pyrrolidin-1-yl-2-pyridinyl)propan-1-one
CID 83888265
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
(3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate
CID 2746361

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one?
The IUPAC name of 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one (CID 67968360) is 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one is CC(C)C(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one?
The InChIKey is WXRLQKLXSAZMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6(2)9(15)7-4-3-5-8(14-7)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one?
2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one has a molecular weight of 217.19 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 67968360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).