3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane

C10H16FN — CID 112564726

IUPAC3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane
SMILESC=C(C)C1(F)CC2CCC(C1)N2
InChIInChI=1S/C10H16FN/c1-7(2)10(11)5-8-3-4-9(6-10)12-8/h8-9,12H,1,3-6H2,2H3
InChIKeyLIIZVQPSHPDCKI-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.19
Rot. Bonds1

About 3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane

3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 112564726) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID112564726
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane
SMILESC=C(C)C1(F)CC2CCC(C1)N2
InChIInChI=1S/C10H16FN/c1-7(2)10(11)5-8-3-4-9(6-10)12-8/h8-9,12H,1,3-6H2,2H3
InChIKeyLIIZVQPSHPDCKI-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-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane (CID 112564726) is 3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane is C=C(C)C1(F)CC2CCC(C1)N2.
What is the InChIKey of 3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is LIIZVQPSHPDCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-7(2)10(11)5-8-3-4-9(6-10)12-8/h8-9,12H,1,3-6H2,2H3.
What are the key properties of 3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane?
3-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane 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-fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).