2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one

C11H20FNO — CID 130562121

IUPAC2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1CCCN1C(=O)C(C)(C)F
InChIInChI=1S/C11H20FNO/c1-8(2)9-6-5-7-13(9)10(14)11(3,4)12/h8-9H,5-7H2,1-4H3
InChIKeyLLLGMCIDUPTJEC-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.38
Rot. Bonds2

About 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one

2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 130562121) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID130562121
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1CCCN1C(=O)C(C)(C)F
InChIInChI=1S/C11H20FNO/c1-8(2)9-6-5-7-13(9)10(14)11(3,4)12/h8-9H,5-7H2,1-4H3
InChIKeyLLLGMCIDUPTJEC-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 177047890
N,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 106707539
[(2R)-piperidin-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 104914149
(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79014107
(1-aminocyclopentyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62059351
methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate
CID 58226565
methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 107474506
1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one (CID 130562121) is 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one is CC(C)C1CCCN1C(=O)C(C)(C)F.
What is the InChIKey of 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is LLLGMCIDUPTJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-8(2)9-6-5-7-13(9)10(14)11(3,4)12/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one?
2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 201.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 130562121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).