1-(1,1-difluoropropyl)pyrrolidin-2-one

C7H11F2NO — CID 174968097

IUPAC1-(1,1-difluoropropyl)pyrrolidin-2-one
SMILESCCC(F)(F)N1CCCC1=O
InChIInChI=1S/C7H11F2NO/c1-2-7(8,9)10-5-3-4-6(10)11/h2-5H2,1H3
InChIKeyVWGFSKXEJZGLFD-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.61
Rot. Bonds2

About 1-(1,1-difluoropropyl)pyrrolidin-2-one

1-(1,1-difluoropropyl)pyrrolidin-2-one (PubChem CID 174968097) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)pyrrolidin-2-one
PubChem CID174968097
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(1,1-difluoropropyl)pyrrolidin-2-one
SMILESCCC(F)(F)N1CCCC1=O
InChIInChI=1S/C7H11F2NO/c1-2-7(8,9)10-5-3-4-6(10)11/h2-5H2,1H3
InChIKeyVWGFSKXEJZGLFD-UHFFFAOYSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
CID 122459061
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 130210872
1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one
CID 91559137
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-butan-2-yloxypyrrolidin-2-one
CID 163678451
3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid
CID 126987137
N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one
CID 158275289
1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 115310346
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione
CID 138667500

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,1-difluoropropyl)pyrrolidin-2-one (CID 174968097) is 1-(1,1-difluoropropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,1-difluoropropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,1-difluoropropyl)pyrrolidin-2-one is CCC(F)(F)N1CCCC1=O.
What is the InChIKey of 1-(1,1-difluoropropyl)pyrrolidin-2-one?
The InChIKey is VWGFSKXEJZGLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-2-7(8,9)10-5-3-4-6(10)11/h2-5H2,1H3.
What are the key properties of 1-(1,1-difluoropropyl)pyrrolidin-2-one?
1-(1,1-difluoropropyl)pyrrolidin-2-one has a molecular weight of 163.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)pyrrolidin-2-one is sourced from PubChem (CID 174968097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).