3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine

C11H18FN — CID 106655039

IUPAC3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(C2=CCCCC2)C1
InChIInChI=1S/C11H18FN/c12-11(7-6-10(13)8-11)9-4-2-1-3-5-9/h4,10H,1-3,5-8,13H2
InChIKeyVCGFNIBGVSRGCC-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.71
Rot. Bonds1

About 3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine

3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine (PubChem CID 106655039) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine
PubChem CID106655039
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(C2=CCCCC2)C1
InChIInChI=1S/C11H18FN/c12-11(7-6-10(13)8-11)9-4-2-1-3-5-9/h4,10H,1-3,5-8,13H2
InChIKeyVCGFNIBGVSRGCC-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.71
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-fluorocyclopentan-1-amine?
The IUPAC name of 3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine (CID 106655039) is 3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine?
The canonical SMILES for 3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine is NC1CCC(F)(C2=CCCCC2)C1.
What is the InChIKey of 3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine?
The InChIKey is VCGFNIBGVSRGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c12-11(7-6-10(13)8-11)9-4-2-1-3-5-9/h4,10H,1-3,5-8,13H2.
What are the key properties of 3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine?
3-(cyclohexen-1-yl)-3-fluorocyclopentan-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.71, 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-fluorocyclopentan-1-amine is sourced from PubChem (CID 106655039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).