3-fluoro-1-hexa-2,4-dien-3-ylazetidine

C9H14FN — CID 123754444

IUPAC3-fluoro-1-hexa-2,4-dien-3-ylazetidine
SMILESCC=CC(=CC)N1CC(F)C1
InChIInChI=1S/C9H14FN/c1-3-5-9(4-2)11-6-8(10)7-11/h3-5,8H,6-7H2,1-2H3
InChIKeyQVUUHRRBGSQVLN-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.12
Rot. Bonds2

About 3-fluoro-1-hexa-2,4-dien-3-ylazetidine

3-fluoro-1-hexa-2,4-dien-3-ylazetidine (PubChem CID 123754444) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-fluoro-1-hexa-2,4-dien-3-ylazetidine.

Molecular Properties

Compound Name3-fluoro-1-hexa-2,4-dien-3-ylazetidine
PubChem CID123754444
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name3-fluoro-1-hexa-2,4-dien-3-ylazetidine
SMILESCC=CC(=CC)N1CC(F)C1
InChIInChI=1S/C9H14FN/c1-3-5-9(4-2)11-6-8(10)7-11/h3-5,8H,6-7H2,1-2H3
InChIKeyQVUUHRRBGSQVLN-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-hexa-2,4-dien-3-ylazetidine?
The IUPAC name of 3-fluoro-1-hexa-2,4-dien-3-ylazetidine (CID 123754444) is 3-fluoro-1-hexa-2,4-dien-3-ylazetidine.
What is the SMILES notation for 3-fluoro-1-hexa-2,4-dien-3-ylazetidine?
The canonical SMILES for 3-fluoro-1-hexa-2,4-dien-3-ylazetidine is CC=CC(=CC)N1CC(F)C1.
What is the InChIKey of 3-fluoro-1-hexa-2,4-dien-3-ylazetidine?
The InChIKey is QVUUHRRBGSQVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-3-5-9(4-2)11-6-8(10)7-11/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-fluoro-1-hexa-2,4-dien-3-ylazetidine?
3-fluoro-1-hexa-2,4-dien-3-ylazetidine has a molecular weight of 155.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-hexa-2,4-dien-3-ylazetidine is sourced from PubChem (CID 123754444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).