4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one

C8H13F2NO2 — CID 67116912

IUPAC4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(F)(F)CC1CC(=O)N(CO)C1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)3-6-2-7(13)11(4-6)5-12/h6,12H,2-5H2,1H3
InChIKeyFBETYBUBMBVWQJ-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.83
Rot. Bonds3

About 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one

4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 67116912) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one
PubChem CID67116912
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(F)(F)CC1CC(=O)N(CO)C1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)3-6-2-7(13)11(4-6)5-12/h6,12H,2-5H2,1H3
InChIKeyFBETYBUBMBVWQJ-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyrrolidinone,4-(2,2-difluoroethyl)-1-(hydroxymethyl)-
CID 67116466
1-(Hydroxymethyl)-4-(2,2,2-trifluoroethyl)-2-pyrrolidinone
CID 67116473
(4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 67116594
2-Pyrrolidinone,1-(chloromethyl)-4-(2,2-difluoropropyl)-
CID 67116886
1-(Hydroxymethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
CID 67117252
(4S)-1-(hydroxymethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
CID 67117264
4-(2,2-Difluoroethyl)-1-ethylpyrrolidin-2-one
CID 67255398
3-(1,1,2,4,4,4-Hexafluorobutyl)-1-methylpyrrolidin-2-one
CID 150460401
1-(Hydroxymethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 153972139
4-Ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one
CID 155581757
1-Pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one
CID 174959086
1-Ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one
CID 176797213

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one (CID 67116912) is 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one is CC(F)(F)CC1CC(=O)N(CO)C1.
What is the InChIKey of 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is FBETYBUBMBVWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-8(9,10)3-6-2-7(13)11(4-6)5-12/h6,12H,2-5H2,1H3.
What are the key properties of 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one?
4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 193.19 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 67116912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).