2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C7H11F2NO2 — CID 103513895

IUPAC2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCCC1CO
InChIInChI=1S/C7H11F2NO2/c8-6(9)7(12)10-3-1-2-5(10)4-11/h5-6,11H,1-4H2
InChIKeyOUHHEQQEUHPBQJ-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.23
Rot. Bonds2

About 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 103513895) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID103513895
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCCC1CO
InChIInChI=1S/C7H11F2NO2/c8-6(9)7(12)10-3-1-2-5(10)4-11/h5-6,11H,1-4H2
InChIKeyOUHHEQQEUHPBQJ-UHFFFAOYSA-N
XLogP0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one
CID 550996
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
CID 12444173
1-((2R)-2-(hydroxymethyl)pyrrolidin-1-yl)ethan-1-one
CID 39086618
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 121597861
Snyaqxzjwrdadv-zetcqymhsa-
CID 10888165
[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 10954178
(2S)-2-(Hydroxymethyl)pyrrolidine-1-carbaldehyde
CID 12349566
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 53602072
(S)-2,2,2-Trifluoro-1-(2-(hydroxymethyl)pyrrolidin-1-yl)ethanone
CID 18660144
2,2,2-Trifluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
CID 21964114
1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790290

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 103513895) is 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is O=C(C(F)F)N1CCCC1CO.
What is the InChIKey of 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is OUHHEQQEUHPBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-6(9)7(12)10-3-1-2-5(10)4-11/h5-6,11H,1-4H2.
What are the key properties of 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 179.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 103513895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).