2-fluoro-1-pyrrolidin-1-ylnonan-1-one

C13H24FNO — CID 135391119

IUPAC2-fluoro-1-pyrrolidin-1-ylnonan-1-one
SMILESCCCCCCCC(F)C(=O)N1CCCC1
InChIInChI=1S/C13H24FNO/c1-2-3-4-5-6-9-12(14)13(16)15-10-7-8-11-15/h12H,2-11H2,1H3
InChIKeyPAWDGZQBPAPGKP-UHFFFAOYSA-N
MW229.34 g/mol
LogP3.31
Rot. Bonds7

About 2-fluoro-1-pyrrolidin-1-ylnonan-1-one

2-fluoro-1-pyrrolidin-1-ylnonan-1-one (PubChem CID 135391119) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-fluoro-1-pyrrolidin-1-ylnonan-1-one.

Molecular Properties

Compound Name2-fluoro-1-pyrrolidin-1-ylnonan-1-one
PubChem CID135391119
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name2-fluoro-1-pyrrolidin-1-ylnonan-1-one
SMILESCCCCCCCC(F)C(=O)N1CCCC1
InChIInChI=1S/C13H24FNO/c1-2-3-4-5-6-9-12(14)13(16)15-10-7-8-11-15/h12H,2-11H2,1H3
InChIKeyPAWDGZQBPAPGKP-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pyrrolidin-1-ylnonan-1-one?
The IUPAC name of 2-fluoro-1-pyrrolidin-1-ylnonan-1-one (CID 135391119) is 2-fluoro-1-pyrrolidin-1-ylnonan-1-one.
What is the SMILES notation for 2-fluoro-1-pyrrolidin-1-ylnonan-1-one?
The canonical SMILES for 2-fluoro-1-pyrrolidin-1-ylnonan-1-one is CCCCCCCC(F)C(=O)N1CCCC1.
What is the InChIKey of 2-fluoro-1-pyrrolidin-1-ylnonan-1-one?
The InChIKey is PAWDGZQBPAPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-2-3-4-5-6-9-12(14)13(16)15-10-7-8-11-15/h12H,2-11H2,1H3.
What are the key properties of 2-fluoro-1-pyrrolidin-1-ylnonan-1-one?
2-fluoro-1-pyrrolidin-1-ylnonan-1-one has a molecular weight of 229.34 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-pyrrolidin-1-ylnonan-1-one is sourced from PubChem (CID 135391119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).