1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C15H20FNO — CID 20895670

IUPAC1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-15(2,3)14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3
InChIKeyKAKAXRVKJWUSTC-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.54
Rot. Bonds1

About 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 20895670) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID20895670
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-15(2,3)14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3
InChIKeyKAKAXRVKJWUSTC-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 20895670) is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KAKAXRVKJWUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-15(2,3)14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3.
What are the key properties of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 20895670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).