2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine

C10H14FN — CID 134386446

IUPAC2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine
SMILESCN1CCC1C1=CC(F)CC=C1
InChIInChI=1S/C10H14FN/c1-12-6-5-10(12)8-3-2-4-9(11)7-8/h2-3,7,9-10H,4-6H2,1H3
InChIKeyUJJWZNAVVAYIFC-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.91
Rot. Bonds1

About 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine

2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine (PubChem CID 134386446) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine.

Molecular Properties

Compound Name2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine
PubChem CID134386446
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine
SMILESCN1CCC1C1=CC(F)CC=C1
InChIInChI=1S/C10H14FN/c1-12-6-5-10(12)8-3-2-4-9(11)7-8/h2-3,7,9-10H,4-6H2,1H3
InChIKeyUJJWZNAVVAYIFC-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine?
The IUPAC name of 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine (CID 134386446) is 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine.
What is the SMILES notation for 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine?
The canonical SMILES for 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine is CN1CCC1C1=CC(F)CC=C1.
What is the InChIKey of 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine?
The InChIKey is UJJWZNAVVAYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-12-6-5-10(12)8-3-2-4-9(11)7-8/h2-3,7,9-10H,4-6H2,1H3.
What are the key properties of 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine?
2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine has a molecular weight of 167.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine is sourced from PubChem (CID 134386446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).