4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one

C11H19F2NO2 — CID 58044332

IUPAC4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(COC(F)(F)C(C)(C)C)CC1=O
InChIInChI=1S/C11H19F2NO2/c1-10(2,3)11(12,13)16-7-8-5-9(15)14(4)6-8/h8H,5-7H2,1-4H3
InChIKeyOAESYRDZSPSQSC-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.12
Rot. Bonds3

About 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one

4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one (PubChem CID 58044332) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one
PubChem CID58044332
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(COC(F)(F)C(C)(C)C)CC1=O
InChIInChI=1S/C11H19F2NO2/c1-10(2,3)11(12,13)16-7-8-5-9(15)14(4)6-8/h8H,5-7H2,1-4H3
InChIKeyOAESYRDZSPSQSC-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 4,4-difluoro-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylate
CID 154719180
N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 51082625
1-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-4,4,4-trifluoro-2-methylbutan-1-one
CID 137956677
Ethyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylate
CID 49760520
1-Methyl-5-(trifluoromethoxy)pyrrolidin-2-one
CID 67257951
4-(1,1-Difluoropropoxymethyl)-1-methylpyrrolidin-2-one
CID 68081636
4-(1,1-Difluoroethoxymethyl)-1-methylpyrrolidin-2-one
CID 68640434
[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 139364688
Propyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylate
CID 140044529
Propan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylate
CID 140044532
2-Methylpropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylate
CID 140044583
Butyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylate
CID 140044608

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one (CID 58044332) is 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one is CN1CC(COC(F)(F)C(C)(C)C)CC1=O.
What is the InChIKey of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one?
The InChIKey is OAESYRDZSPSQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-10(2,3)11(12,13)16-7-8-5-9(15)14(4)6-8/h8H,5-7H2,1-4H3.
What are the key properties of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one?
4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one has a molecular weight of 235.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 58044332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).