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

C14H18FNO — CID 20895669

IUPAC1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-10(2)14(17)16-8-4-7-13(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyRYJSIQDZTJRRMQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.15
Rot. Bonds2

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

1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 20895669) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID20895669
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-10(2)14(17)16-8-4-7-13(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyRYJSIQDZTJRRMQ-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.15
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-methylpropan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 20895669) is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is RYJSIQDZTJRRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10(2)14(17)16-8-4-7-13(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,13H,4,7-8H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 235.30 g/mol, XLogP of 3.15, 2 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-methylpropan-1-one is sourced from PubChem (CID 20895669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).