3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine

C9H12FN — CID 166469207

IUPAC3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine
SMILESFC1=C(C2CNC2)CCC=C1
InChIInChI=1S/C9H12FN/c10-9-4-2-1-3-8(9)7-5-11-6-7/h2,4,7,11H,1,3,5-6H2
InChIKeyGESXTNGLDXZHIS-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.78
Rot. Bonds1

About 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine

3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine (PubChem CID 166469207) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine.

Molecular Properties

Compound Name3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine
PubChem CID166469207
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine
SMILESFC1=C(C2CNC2)CCC=C1
InChIInChI=1S/C9H12FN/c10-9-4-2-1-3-8(9)7-5-11-6-7/h2,4,7,11H,1,3,5-6H2
InChIKeyGESXTNGLDXZHIS-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine?
The IUPAC name of 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine (CID 166469207) is 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine.
What is the SMILES notation for 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine?
The canonical SMILES for 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine is FC1=C(C2CNC2)CCC=C1.
What is the InChIKey of 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine?
The InChIKey is GESXTNGLDXZHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c10-9-4-2-1-3-8(9)7-5-11-6-7/h2,4,7,11H,1,3,5-6H2.
What are the key properties of 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine?
3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine has a molecular weight of 153.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorocyclohexa-1,3-dien-1-yl)azetidine is sourced from PubChem (CID 166469207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).