3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine

C11H17F2N — CID 166698535

IUPAC3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine
SMILESC=C(/C=C/CN1CC(F)(F)C1)C(C)C
InChIInChI=1S/C11H17F2N/c1-9(2)10(3)5-4-6-14-7-11(12,13)8-14/h4-5,9H,3,6-8H2,1-2H3/b5-4+
InChIKeyKNICQVFPVRVENF-SNAWJCMRSA-N
MW201.26 g/mol
LogP2.71
Rot. Bonds4

About 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine

3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine (PubChem CID 166698535) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine
PubChem CID166698535
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine
SMILESC=C(/C=C/CN1CC(F)(F)C1)C(C)C
InChIInChI=1S/C11H17F2N/c1-9(2)10(3)5-4-6-14-7-11(12,13)8-14/h4-5,9H,3,6-8H2,1-2H3/b5-4+
InChIKeyKNICQVFPVRVENF-SNAWJCMRSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.71
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 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine?
The IUPAC name of 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine (CID 166698535) is 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine.
What is the SMILES notation for 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine?
The canonical SMILES for 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine is C=C(/C=C/CN1CC(F)(F)C1)C(C)C.
What is the InChIKey of 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine?
The InChIKey is KNICQVFPVRVENF-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H17F2N/c1-9(2)10(3)5-4-6-14-7-11(12,13)8-14/h4-5,9H,3,6-8H2,1-2H3/b5-4+.
What are the key properties of 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine?
3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine has a molecular weight of 201.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine is sourced from PubChem (CID 166698535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).