1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane

C10H18F3NO2 — CID 143011981

IUPAC1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane
SMILESCC.CC(=O)N1CCCC1C(=O)F.FCF
InChIInChI=1S/C7H10FNO2.C2H6.CH2F2/c1-5(10)9-4-2-3-6(9)7(8)11;1-2;2-1-3/h6H,2-4H2,1H3;1-2H3;1H2
InChIKeyAUIZFBHWSIWAAG-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.40
Rot. Bonds1

About 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane

1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane (PubChem CID 143011981) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane.

Molecular Properties

Compound Name1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane
PubChem CID143011981
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane
SMILESCC.CC(=O)N1CCCC1C(=O)F.FCF
InChIInChI=1S/C7H10FNO2.C2H6.CH2F2/c1-5(10)9-4-2-3-6(9)7(8)11;1-2;2-1-3/h6H,2-4H2,1H3;1-2H3;1H2
InChIKeyAUIZFBHWSIWAAG-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
CID 131843971
1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530
butyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 58391424
ethane;1-[2-(2-methyl-4-methyliminopent-2-en-3-yl)pyrrolidin-1-yl]ethanone
CID 178170514
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
1-(1-acetylpyrrolidin-2-yl)ethanone;ethane;propyl 2,2-dimethylpropanoate
CID 143106212
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
undecyl 1-acetylpyrrolidine-2-carboxylate
CID 85101195
hexyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 66695142

Frequently Asked Questions

What is the IUPAC name of 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane?
The IUPAC name of 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane (CID 143011981) is 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane.
What is the SMILES notation for 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane?
The canonical SMILES for 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane is CC.CC(=O)N1CCCC1C(=O)F.FCF.
What is the InChIKey of 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane?
The InChIKey is AUIZFBHWSIWAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2.C2H6.CH2F2/c1-5(10)9-4-2-3-6(9)7(8)11;1-2;2-1-3/h6H,2-4H2,1H3;1-2H3;1H2.
What are the key properties of 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane?
1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane has a molecular weight of 241.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane is sourced from PubChem (CID 143011981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).