1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one

C8H13F2NO2 — CID 130979524

IUPAC1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(C(F)F)N1CC(CO)CC1=O
InChIInChI=1S/C8H13F2NO2/c1-5(8(9)10)11-3-6(4-12)2-7(11)13/h5-6,8,12H,2-4H2,1H3
InChIKeyXMHCVMFZZNYBIO-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.48
Rot. Bonds3

About 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 130979524) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID130979524
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(C(F)F)N1CC(CO)CC1=O
InChIInChI=1S/C8H13F2NO2/c1-5(8(9)10)11-3-6(4-12)2-7(11)13/h5-6,8,12H,2-4H2,1H3
InChIKeyXMHCVMFZZNYBIO-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094
1-[fluoro(phenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 139653065
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168661652
4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one
CID 168661593
4-(bromomethyl)-1-(3-methylbutan-2-yl)pyrrolidin-2-one
CID 168503197
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661742
(2S)-5-ethoxy-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-oxopentanoic acid
CID 168661674
4-(hydroxymethyl)-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-one
CID 168661728
tert-butyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanoate
CID 22387022
(4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one
CID 163821154
4-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 131038054

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 130979524) is 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is CC(C(F)F)N1CC(CO)CC1=O.
What is the InChIKey of 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is XMHCVMFZZNYBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(8(9)10)11-3-6(4-12)2-7(11)13/h5-6,8,12H,2-4H2,1H3.
What are the key properties of 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 193.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 130979524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).