3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane

C11H18FN — CID 112564532

IUPAC3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane
SMILESCC(C)=CC1(F)CC2CCC(C1)N2
InChIInChI=1S/C11H18FN/c1-8(2)5-11(12)6-9-3-4-10(7-11)13-9/h5,9-10,13H,3-4,6-7H2,1-2H3
InChIKeyZVZQUDLUNOFIMZ-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.58
Rot. Bonds1

About 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane

3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane (PubChem CID 112564532) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane
PubChem CID112564532
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane
SMILESCC(C)=CC1(F)CC2CCC(C1)N2
InChIInChI=1S/C11H18FN/c1-8(2)5-11(12)6-9-3-4-10(7-11)13-9/h5,9-10,13H,3-4,6-7H2,1-2H3
InChIKeyZVZQUDLUNOFIMZ-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 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 ≤ 52.58
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-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine
CID 144984207
(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine
CID 163485821
3-[[5-ethenyl-2-ethyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-8-azabicyclo[3.2.1]octane
CID 164867886
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane (CID 112564532) is 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane is CC(C)=CC1(F)CC2CCC(C1)N2.
What is the InChIKey of 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is ZVZQUDLUNOFIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-8(2)5-11(12)6-9-3-4-10(7-11)13-9/h5,9-10,13H,3-4,6-7H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane?
3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 183.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).