2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one

C10H14F3NO2 — CID 22953695

IUPAC2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
SMILESCC(C)C(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-6(2)8(15)7-4-3-5-14(7)9(16)10(11,12)13/h6-7H,3-5H2,1-2H3
InChIKeyMXFQCSZODYADHR-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.76
Rot. Bonds2

About 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one

2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one (PubChem CID 22953695) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
PubChem CID22953695
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
SMILESCC(C)C(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-6(2)8(15)7-4-3-5-14(7)9(16)10(11,12)13/h6-7H,3-5H2,1-2H3
InChIKeyMXFQCSZODYADHR-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110347483
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylate
CID 601862
N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343831
2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 91724240
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583
N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110872998
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110867880
2-methyl-1-(1-sulfanylpyrrolidin-2-yl)propan-1-one
CID 170075221
1-[2-(3,4-dimethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110869148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one (CID 22953695) is 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one is CC(C)C(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one?
The InChIKey is MXFQCSZODYADHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-6(2)8(15)7-4-3-5-14(7)9(16)10(11,12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one?
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one has a molecular weight of 237.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 22953695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).