3-(cyclohexen-1-yl)-3-fluoropyrrolidine

C10H16FN — CID 106655027

IUPAC3-(cyclohexen-1-yl)-3-fluoropyrrolidine
SMILESFC1(C2=CCCCC2)CCNC1
InChIInChI=1S/C10H16FN/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h4,12H,1-3,5-8H2
InChIKeyGHHLEOBHRFVWCG-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.19
Rot. Bonds1

About 3-(cyclohexen-1-yl)-3-fluoropyrrolidine

3-(cyclohexen-1-yl)-3-fluoropyrrolidine (PubChem CID 106655027) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-3-fluoropyrrolidine
PubChem CID106655027
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name3-(cyclohexen-1-yl)-3-fluoropyrrolidine
SMILESFC1(C2=CCCCC2)CCNC1
InChIInChI=1S/C10H16FN/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h4,12H,1-3,5-8H2
InChIKeyGHHLEOBHRFVWCG-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-3-fluoropyrrolidine?
The IUPAC name of 3-(cyclohexen-1-yl)-3-fluoropyrrolidine (CID 106655027) is 3-(cyclohexen-1-yl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(cyclohexen-1-yl)-3-fluoropyrrolidine is FC1(C2=CCCCC2)CCNC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-3-fluoropyrrolidine?
The InChIKey is GHHLEOBHRFVWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h4,12H,1-3,5-8H2.
What are the key properties of 3-(cyclohexen-1-yl)-3-fluoropyrrolidine?
3-(cyclohexen-1-yl)-3-fluoropyrrolidine has a molecular weight of 169.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-3-fluoropyrrolidine is sourced from PubChem (CID 106655027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).