1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine

C10H14FN — CID 89167050

IUPAC1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine
SMILESCC1CC=C(N2CCC2)C=C1F
InChIInChI=1S/C10H14FN/c1-8-3-4-9(7-10(8)11)12-5-2-6-12/h4,7-8H,2-3,5-6H2,1H3
InChIKeyRRHRBVHOPKGIMJ-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.47
Rot. Bonds1

About 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine

1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine (PubChem CID 89167050) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine.

Molecular Properties

Compound Name1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine
PubChem CID89167050
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine
SMILESCC1CC=C(N2CCC2)C=C1F
InChIInChI=1S/C10H14FN/c1-8-3-4-9(7-10(8)11)12-5-2-6-12/h4,7-8H,2-3,5-6H2,1H3
InChIKeyRRHRBVHOPKGIMJ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine?
The IUPAC name of 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine (CID 89167050) is 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine.
What is the SMILES notation for 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine?
The canonical SMILES for 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine is CC1CC=C(N2CCC2)C=C1F.
What is the InChIKey of 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine?
The InChIKey is RRHRBVHOPKGIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8-3-4-9(7-10(8)11)12-5-2-6-12/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine?
1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine has a molecular weight of 167.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine is sourced from PubChem (CID 89167050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).