3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane

C14H22FN — CID 106655031

IUPAC3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(C2=CCCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C14H22FN/c15-14(11-5-3-1-2-4-6-11)9-12-7-8-13(10-14)16-12/h5,12-13,16H,1-4,6-10H2
InChIKeyKZTCIHIQAATHBV-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.50
Rot. Bonds1

About 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane

3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 106655031) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID106655031
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(C2=CCCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C14H22FN/c15-14(11-5-3-1-2-4-6-11)9-12-7-8-13(10-14)16-12/h5,12-13,16H,1-4,6-10H2
InChIKeyKZTCIHIQAATHBV-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane
CID 70842087
(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine
CID 163485821
3-(Cyclohexen-1-yl)-3-fluoropiperidine
CID 106655012
3-(Cycloocten-1-yl)-3-fluoropiperidine
CID 106655013
3-(Cyclohepten-1-yl)-3-fluoropiperidine
CID 106655014
4-(Cyclohexen-1-yl)-4-fluoropiperidine
CID 106655015
4-(Cycloocten-1-yl)-4-fluoropiperidine
CID 106655016
4-(Cyclohepten-1-yl)-4-fluoropiperidine
CID 106655017
4-[Cyclohepten-1-yl(fluoro)methyl]piperidine
CID 106655023
3-(Cyclohexen-1-yl)-3-fluoropyrrolidine
CID 106655027
3-(Cycloocten-1-yl)-3-fluoropyrrolidine
CID 106655028
3-(Cyclohepten-1-yl)-3-fluoropyrrolidine
CID 106655029

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane (CID 106655031) is 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane is FC1(C2=CCCCCC2)CC2CCC(C1)N2.
What is the InChIKey of 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is KZTCIHIQAATHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c15-14(11-5-3-1-2-4-6-11)9-12-7-8-13(10-14)16-12/h5,12-13,16H,1-4,6-10H2.
What are the key properties of 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 223.33 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 106655031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).