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

C8H12FN — CID 118940548

IUPAC3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCN1C2CC(C1CF)C=C2
InChIInChI=1S/C8H12FN/c1-10-7-3-2-6(4-7)8(10)5-9/h2-3,6-8H,4-5H2,1H3
InChIKeyCWQOAURJOOPDFJ-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.30
Rot. Bonds1

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

3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene (PubChem CID 118940548) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
PubChem CID118940548
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCN1C2CC(C1CF)C=C2
InChIInChI=1S/C8H12FN/c1-10-7-3-2-6(4-7)8(10)5-9/h2-3,6-8H,4-5H2,1H3
InChIKeyCWQOAURJOOPDFJ-UHFFFAOYSA-N
XLogP1.30
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity167

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 13875028
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3-(Fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene
CID 126762669
2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine
CID 146476928
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethyl-3-(trifluoromethyl)pyrrolidine
CID 156071346
7-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
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CID 163977858
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CID 164922218

Frequently Asked Questions

What is the IUPAC name of 3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene (CID 118940548) is 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene is CN1C2CC(C1CF)C=C2.
What is the InChIKey of 3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene?
The InChIKey is CWQOAURJOOPDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-10-7-3-2-6(4-7)8(10)5-9/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene?
3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene has a molecular weight of 141.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 118940548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).