ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one

C11H22FNO — CID 177053865

IUPACethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC.CC1CCN(C(=O)C(C)(C)F)C1
InChIInChI=1S/C9H16FNO.C2H6/c1-7-4-5-11(6-7)8(12)9(2,3)10;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyHKBFDBZKQDJBHQ-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.63
Rot. Bonds1

About ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one

ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 177053865) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Nameethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID177053865
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Nameethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC.CC1CCN(C(=O)C(C)(C)F)C1
InChIInChI=1S/C9H16FNO.C2H6/c1-7-4-5-11(6-7)8(12)9(2,3)10;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyHKBFDBZKQDJBHQ-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 130667579
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 143704226
2-fluoro-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 126972948
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 130561860
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
2-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 170766986
ethane;1-(3-methylpyrrolidin-1-yl)but-2-yn-1-one
CID 142291069
2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82813575
2,2,2-trifluoroethyl 3-methylpyrrolidine-1-carboxylate
CID 62734498
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylpyrrolidine-1-carboxylate
CID 123284912

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one (CID 177053865) is ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one is CC.CC1CCN(C(=O)C(C)(C)F)C1.
What is the InChIKey of ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is HKBFDBZKQDJBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO.C2H6/c1-7-4-5-11(6-7)8(12)9(2,3)10;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 203.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 177053865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).