6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine

C11H19F2N — CID 174329003

IUPAC6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine
SMILESC=C(CC(C)/C(=N/C)C(C)C)C(F)F
InChIInChI=1S/C11H19F2N/c1-7(2)10(14-5)8(3)6-9(4)11(12)13/h7-8,11H,4,6H2,1-3,5H3/b14-10+
InChIKeyGBSKEPVONKYRFL-GXDHUFHOSA-N
MW203.28 g/mol
LogP3.56
Rot. Bonds5

About 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine

6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine (PubChem CID 174329003) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine.

Molecular Properties

Compound Name6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine
PubChem CID174329003
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine
SMILESC=C(CC(C)/C(=N/C)C(C)C)C(F)F
InChIInChI=1S/C11H19F2N/c1-7(2)10(14-5)8(3)6-9(4)11(12)13/h7-8,11H,4,6H2,1-3,5H3/b14-10+
InChIKeyGBSKEPVONKYRFL-GXDHUFHOSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.56
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 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine?
The IUPAC name of 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine (CID 174329003) is 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine.
What is the SMILES notation for 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine?
The canonical SMILES for 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine is C=C(CC(C)/C(=N/C)C(C)C)C(F)F.
What is the InChIKey of 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine?
The InChIKey is GBSKEPVONKYRFL-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H19F2N/c1-7(2)10(14-5)8(3)6-9(4)11(12)13/h7-8,11H,4,6H2,1-3,5H3/b14-10+.
What are the key properties of 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine?
6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine has a molecular weight of 203.28 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine is sourced from PubChem (CID 174329003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).