4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one

C9H16FNO — CID 167456352

IUPAC4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1(CF)CC(=O)N(C)C1
InChIInChI=1S/C9H16FNO/c1-7(2)9(5-10)4-8(12)11(3)6-9/h7H,4-6H2,1-3H3
InChIKeyMBOPUAYFXOSSLH-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.46
Rot. Bonds2

About 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one

4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one (PubChem CID 167456352) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one
PubChem CID167456352
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1(CF)CC(=O)N(C)C1
InChIInChI=1S/C9H16FNO/c1-7(2)9(5-10)4-8(12)11(3)6-9/h7H,4-6H2,1-3H3
InChIKeyMBOPUAYFXOSSLH-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,4,5-Tetramethylpyrrolidin-2-one
CID 14767583
1-Tert-butyl-4-propan-2-ylpyrrolidin-2-one
CID 85681497
2,2-Difluoro-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 57700536
(4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
CID 59109326
1-Ethyl-3-(2-fluoroethyl)pyrrolidin-2-one
CID 67253515
1-Ethyl-4-(2-fluoroethyl)pyrrolidin-2-one
CID 67254180
3-(2-Fluoroethyl)-1-methylpyrrolidin-2-one
CID 67254194
4-(2,2-Difluoroethyl)-1-ethylpyrrolidin-2-one
CID 67255398
4-(2-Fluoroethyl)-1-methylpyrrolidin-2-one
CID 67261550
2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide
CID 88580566
3-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 89759515
4-fluoro-N,2,2-trimethyl-N-propylpentanamide
CID 91419819

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one (CID 167456352) is 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one is CC(C)C1(CF)CC(=O)N(C)C1.
What is the InChIKey of 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is MBOPUAYFXOSSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(2)9(5-10)4-8(12)11(3)6-9/h7H,4-6H2,1-3H3.
What are the key properties of 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one?
4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 173.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-methyl-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 167456352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).