(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine

C11H17F2N — CID 126497184

IUPAC(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine
SMILES[H]/N=C/C(C/C=C(\C)C(C)(F)F)C(=C)C
InChIInChI=1S/C11H17F2N/c1-8(2)10(7-14)6-5-9(3)11(4,12)13/h5,7,10,14H,1,6H2,2-4H3/b9-5+,14-7+
InChIKeyVIQYKVCQNFCZKS-ZYHMVMLGSA-N
MW201.26 g/mol
LogP3.82
Rot. Bonds5

About (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine

(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine (PubChem CID 126497184) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine.

Molecular Properties

Compound Name(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine
PubChem CID126497184
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine
SMILES[H]/N=C/C(C/C=C(\C)C(C)(F)F)C(=C)C
InChIInChI=1S/C11H17F2N/c1-8(2)10(7-14)6-5-9(3)11(4,12)13/h5,7,10,14H,1,6H2,2-4H3/b9-5+,14-7+
InChIKeyVIQYKVCQNFCZKS-ZYHMVMLGSA-N
XLogP3.82
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine?
The IUPAC name of (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine (CID 126497184) is (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine.
What is the SMILES notation for (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine?
The canonical SMILES for (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine is [H]/N=C/C(C/C=C(\C)C(C)(F)F)C(=C)C.
What is the InChIKey of (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine?
The InChIKey is VIQYKVCQNFCZKS-ZYHMVMLGSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8(2)10(7-14)6-5-9(3)11(4,12)13/h5,7,10,14H,1,6H2,2-4H3/b9-5+,14-7+.
What are the key properties of (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine?
(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine has a molecular weight of 201.26 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine is sourced from PubChem (CID 126497184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).