9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene

C9H12FN — CID 166984340

IUPAC9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene
SMILESCC1C2CCN3CC=C(F)C123
InChIInChI=1S/C9H12FN/c1-6-7-2-4-11-5-3-8(10)9(6,7)11/h3,6-7H,2,4-5H2,1H3
InChIKeyONDQQHYPYGBJDL-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.56
Rot. Bonds

About 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene

9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene (PubChem CID 166984340) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene.

Molecular Properties

Compound Name9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene
PubChem CID166984340
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene
SMILESCC1C2CCN3CC=C(F)C123
InChIInChI=1S/C9H12FN/c1-6-7-2-4-11-5-3-8(10)9(6,7)11/h3,6-7H,2,4-5H2,1H3
InChIKeyONDQQHYPYGBJDL-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 163614743
8-Ethyl-7-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984255
8-Ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984390
(8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 177095504

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene?
The IUPAC name of 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene (CID 166984340) is 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene.
What is the SMILES notation for 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene?
The canonical SMILES for 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene is CC1C2CCN3CC=C(F)C123.
What is the InChIKey of 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene?
The InChIKey is ONDQQHYPYGBJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-6-7-2-4-11-5-3-8(10)9(6,7)11/h3,6-7H,2,4-5H2,1H3.
What are the key properties of 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene?
9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene has a molecular weight of 153.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene is sourced from PubChem (CID 166984340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).