3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene

C7H10FN — CID 126762669

IUPAC3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene
SMILESFCC1NC2C=CC1C2
InChIInChI=1S/C7H10FN/c8-4-7-5-1-2-6(3-5)9-7/h1-2,5-7,9H,3-4H2
InChIKeySHNLEATZPUAWLS-UHFFFAOYSA-N
MW127.16 g/mol
LogP0.87
Rot. Bonds1

About 3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene

3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene (PubChem CID 126762669) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene
PubChem CID126762669
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene
SMILESFCC1NC2C=CC1C2
InChIInChI=1S/C7H10FN/c8-4-7-5-1-2-6(3-5)9-7/h1-2,5-7,9H,3-4H2
InChIKeySHNLEATZPUAWLS-UHFFFAOYSA-N
XLogP0.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 50.87
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-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene (CID 126762669) is 3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene is FCC1NC2C=CC1C2.
What is the InChIKey of 3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene?
The InChIKey is SHNLEATZPUAWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c8-4-7-5-1-2-6(3-5)9-7/h1-2,5-7,9H,3-4H2.
What are the key properties of 3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene?
3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene has a molecular weight of 127.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 126762669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).