5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine

C11H19F2N — CID 174320374

IUPAC5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine
SMILESC/N=C(/CC(=C(C)C)C(F)F)C(C)C
InChIInChI=1S/C11H19F2N/c1-7(2)9(11(12)13)6-10(14-5)8(3)4/h8,11H,6H2,1-5H3/b14-10-
InChIKeyHVXHLXFORAVEJO-UVTDQMKNSA-N
MW203.28 g/mol
LogP3.70
Rot. Bonds4

About 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine

5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine (PubChem CID 174320374) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine.

Molecular Properties

Compound Name5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine
PubChem CID174320374
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine
SMILESC/N=C(/CC(=C(C)C)C(F)F)C(C)C
InChIInChI=1S/C11H19F2N/c1-7(2)9(11(12)13)6-10(14-5)8(3)4/h8,11H,6H2,1-5H3/b14-10-
InChIKeyHVXHLXFORAVEJO-UVTDQMKNSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine?
The IUPAC name of 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine (CID 174320374) is 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine.
What is the SMILES notation for 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine?
The canonical SMILES for 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine is C/N=C(/CC(=C(C)C)C(F)F)C(C)C.
What is the InChIKey of 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine?
The InChIKey is HVXHLXFORAVEJO-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H19F2N/c1-7(2)9(11(12)13)6-10(14-5)8(3)4/h8,11H,6H2,1-5H3/b14-10-.
What are the key properties of 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine?
5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine has a molecular weight of 203.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine is sourced from PubChem (CID 174320374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).