1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one

C11H20FNO — CID 157359141

IUPAC1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC1CN(C(=O)CC(C)(C)C)CC1F
InChIInChI=1S/C11H20FNO/c1-8-6-13(7-9(8)12)10(14)5-11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyFWECLVVWMMCJJH-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.24
Rot. Bonds1

About 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one

1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 157359141) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID157359141
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC1CN(C(=O)CC(C)(C)C)CC1F
InChIInChI=1S/C11H20FNO/c1-8-6-13(7-9(8)12)10(14)5-11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyFWECLVVWMMCJJH-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one (CID 157359141) is 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one is CC1CN(C(=O)CC(C)(C)C)CC1F.
What is the InChIKey of 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is FWECLVVWMMCJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-8-6-13(7-9(8)12)10(14)5-11(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 201.28 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 157359141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).