1-(1-fluoroethyl)pyrrolidin-3-ol

C6H12FNO — CID 22438903

IUPAC1-(1-fluoroethyl)pyrrolidin-3-ol
SMILESCC(F)N1CCC(O)C1
InChIInChI=1S/C6H12FNO/c1-5(7)8-3-2-6(9)4-8/h5-6,9H,2-4H2,1H3
InChIKeyJGJSVNCQDFPVOH-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.37
Rot. Bonds1

About 1-(1-fluoroethyl)pyrrolidin-3-ol

1-(1-fluoroethyl)pyrrolidin-3-ol (PubChem CID 22438903) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-(1-fluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-fluoroethyl)pyrrolidin-3-ol
PubChem CID22438903
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-(1-fluoroethyl)pyrrolidin-3-ol
SMILESCC(F)N1CCC(O)C1
InChIInChI=1S/C6H12FNO/c1-5(7)8-3-2-6(9)4-8/h5-6,9H,2-4H2,1H3
InChIKeyJGJSVNCQDFPVOH-UHFFFAOYSA-N
XLogP0.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-fluoroethyl)pyrrolidin-3-ol (CID 22438903) is 1-(1-fluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-fluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-fluoroethyl)pyrrolidin-3-ol is CC(F)N1CCC(O)C1.
What is the InChIKey of 1-(1-fluoroethyl)pyrrolidin-3-ol?
The InChIKey is JGJSVNCQDFPVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5(7)8-3-2-6(9)4-8/h5-6,9H,2-4H2,1H3.
What are the key properties of 1-(1-fluoroethyl)pyrrolidin-3-ol?
1-(1-fluoroethyl)pyrrolidin-3-ol has a molecular weight of 133.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 22438903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).