5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one

C7H10F3NO3 — CID 12008124

IUPAC5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCOC1(C)CC(O)(C(F)(F)F)NC1=O
InChIInChI=1S/C7H10F3NO3/c1-5(14-2)3-6(13,7(8,9)10)11-4(5)12/h13H,3H2,1-2H3,(H,11,12)
InChIKeyVRLRSIVSYXJDHA-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.16
Rot. Bonds1

About 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one

5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 12008124) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID12008124
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCOC1(C)CC(O)(C(F)(F)F)NC1=O
InChIInChI=1S/C7H10F3NO3/c1-5(14-2)3-6(13,7(8,9)10)11-4(5)12/h13H,3H2,1-2H3,(H,11,12)
InChIKeyVRLRSIVSYXJDHA-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,6S)-4,6-dihydroxy-4,6-bis(trifluoromethyl)-1,3-diazinane-2-thione
CID 97302177
(6S,9S)-6-hydroxy-8-oxo-6-(trifluoromethyl)-7-azaspiro[3.5]nonane-9-carbaldehyde
CID 177403617
2-methoxy-2-methylcyclopropan-1-one
CID 57185083
3,3,4,4-tetramethylazetidin-2-one
CID 550151
3-methyl-3-(trifluoromethyl)azetidin-2-one
CID 10888110
(2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one
CID 132555185
3-methoxy-3-methylazepan-2-one
CID 89257718
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione
CID 68667729
5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione
CID 119096804
5-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 15672703
(5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol
CID 1329418
tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate
CID 167723682

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one (CID 12008124) is 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one is COC1(C)CC(O)(C(F)(F)F)NC1=O.
What is the InChIKey of 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is VRLRSIVSYXJDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-5(14-2)3-6(13,7(8,9)10)11-4(5)12/h13H,3H2,1-2H3,(H,11,12).
What are the key properties of 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 213.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 12008124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).