(E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine

C15H25F2N — CID 134466286

IUPAC(E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine
SMILESCCC(C)(C)/C=C(C)/C(/C=N/C)=C(/C)C(C)(F)F
InChIInChI=1S/C15H25F2N/c1-8-14(4,5)9-11(2)13(10-18-7)12(3)15(6,16)17/h9-10H,8H2,1-7H3/b11-9+,13-12-,18-10+
InChIKeyAPHMFOYLQRSBBR-DTUNRVKRSA-N
MW257.37 g/mol
LogP5.04
Rot. Bonds5

About (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine

(E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine (PubChem CID 134466286) has the molecular formula C15H25F2N and a molecular weight of 257.37 g/mol. Its IUPAC name is (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine.

Molecular Properties

Compound Name(E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine
PubChem CID134466286
Molecular FormulaC15H25F2N
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine
SMILESCCC(C)(C)/C=C(C)/C(/C=N/C)=C(/C)C(C)(F)F
InChIInChI=1S/C15H25F2N/c1-8-14(4,5)9-11(2)13(10-18-7)12(3)15(6,16)17/h9-10H,8H2,1-7H3/b11-9+,13-12-,18-10+
InChIKeyAPHMFOYLQRSBBR-DTUNRVKRSA-N
XLogP5.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine?
The IUPAC name of (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine (CID 134466286) is (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine.
What is the SMILES notation for (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine?
The canonical SMILES for (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine is CCC(C)(C)/C=C(C)/C(/C=N/C)=C(/C)C(C)(F)F.
What is the InChIKey of (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine?
The InChIKey is APHMFOYLQRSBBR-DTUNRVKRSA-N. The full InChI is InChI=1S/C15H25F2N/c1-8-14(4,5)9-11(2)13(10-18-7)12(3)15(6,16)17/h9-10H,8H2,1-7H3/b11-9+,13-12-,18-10+.
What are the key properties of (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine?
(E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine has a molecular weight of 257.37 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine is sourced from PubChem (CID 134466286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).