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

C8H12F3NO2 — CID 127014071

IUPAC4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one
SMILESCC(N1CC(CO)CC1=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-5(8(9,10)11)12-3-6(4-13)2-7(12)14/h5-6,13H,2-4H2,1H3
InChIKeyRPABGVBPDUJGPP-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.78
Rot. Bonds2

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

4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one (PubChem CID 127014071) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one
PubChem CID127014071
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one
SMILESCC(N1CC(CO)CC1=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-5(8(9,10)11)12-3-6(4-13)2-7(12)14/h5-6,13H,2-4H2,1H3
InChIKeyRPABGVBPDUJGPP-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Hydroxymethyl)-1-Isopropylpyrrolidin-2-One
CID 21331355
4-(Hydroxymethyl)-1-methyl-2-pyrrolidinone
CID 21914263
1-(1,1-Dimethylethyl)-4-(hydroxymethyl)-2-pyrrolidinone
CID 20372067
1-Cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 24275513
1-Ethyl-4-(hydroxymethyl)-2-pyrrolidinone
CID 49657891
5-Hydroxy-1,4-dimethylpyrrolidin-2-one
CID 12394592
5-Hydroxy-1,3-dimethylpyrrolidin-2-one
CID 12394622
[1-(Trifluoroacetyl)pyrrolidin-3-yl]methanol
CID 62372909
4-(1,1-Difluoropropoxymethyl)-1-methylpyrrolidin-2-one
CID 68081636
4-(1,1-Difluoroethoxymethyl)-1-methylpyrrolidin-2-one
CID 68640434
2,2,2-trifluoro-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126719572
2,2,2-trifluoro-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 129367709

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one (CID 127014071) is 4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one is CC(N1CC(CO)CC1=O)C(F)(F)F.
What is the InChIKey of 4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one?
The InChIKey is RPABGVBPDUJGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(8(9,10)11)12-3-6(4-13)2-7(12)14/h5-6,13H,2-4H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one has a molecular weight of 211.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 127014071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).