3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine

C11H15F2N — CID 115058335

IUPAC3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine
SMILESC=C/C=C(\C=C)CC(F)(F)C1CNC1
InChIInChI=1S/C11H15F2N/c1-3-5-9(4-2)6-11(12,13)10-7-14-8-10/h3-5,10,14H,1-2,6-8H2/b9-5+
InChIKeyKLSNKZKFIDWNGW-WEVVVXLNSA-N
MW199.24 g/mol
LogP2.53
Rot. Bonds5

About 3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine

3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine (PubChem CID 115058335) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine.

Molecular Properties

Compound Name3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine
PubChem CID115058335
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine
SMILESC=C/C=C(\C=C)CC(F)(F)C1CNC1
InChIInChI=1S/C11H15F2N/c1-3-5-9(4-2)6-11(12,13)10-7-14-8-10/h3-5,10,14H,1-2,6-8H2/b9-5+
InChIKeyKLSNKZKFIDWNGW-WEVVVXLNSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
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-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine?
The IUPAC name of 3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine (CID 115058335) is 3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine.
What is the SMILES notation for 3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine?
The canonical SMILES for 3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine is C=C/C=C(\C=C)CC(F)(F)C1CNC1.
What is the InChIKey of 3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine?
The InChIKey is KLSNKZKFIDWNGW-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-5-9(4-2)6-11(12,13)10-7-14-8-10/h3-5,10,14H,1-2,6-8H2/b9-5+.
What are the key properties of 3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine?
3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine has a molecular weight of 199.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine is sourced from PubChem (CID 115058335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).