3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one

C9H14FNO — CID 164657949

IUPAC3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CCC(F)C2)C1
InChIInChI=1S/C9H14FNO/c10-7-3-4-11(6-7)8-1-2-9(12)5-8/h7-8H,1-6H2
InChIKeyUTDJMLPGNAJOGM-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.15
Rot. Bonds1

About 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one

3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one (PubChem CID 164657949) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one
PubChem CID164657949
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CCC(F)C2)C1
InChIInChI=1S/C9H14FNO/c10-7-3-4-11(6-7)8-1-2-9(12)5-8/h7-8H,1-6H2
InChIKeyUTDJMLPGNAJOGM-UHFFFAOYSA-N
XLogP1.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one?
The IUPAC name of 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one (CID 164657949) is 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one?
The canonical SMILES for 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one is O=C1CCC(N2CCC(F)C2)C1.
What is the InChIKey of 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one?
The InChIKey is UTDJMLPGNAJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-7-3-4-11(6-7)8-1-2-9(12)5-8/h7-8H,1-6H2.
What are the key properties of 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one?
3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one has a molecular weight of 171.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropyrrolidin-1-yl)cyclopentan-1-one is sourced from PubChem (CID 164657949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).