(3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine

C15H19F2N — CID 162574990

IUPAC(3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine
SMILES[H]/N=C(C)/C(/C=C\C(=C)C(F)(F)/C=C/C)=C/C(=C)C
InChIInChI=1S/C15H19F2N/c1-6-9-15(16,17)12(4)7-8-14(13(5)18)10-11(2)3/h6-10,18H,2,4H2,1,3,5H3/b8-7-,9-6+,14-10+,18-13+
InChIKeyZAAAEOKFCIPMDA-TWPQYKNESA-N
MW251.32 g/mol
LogP4.85
Rot. Bonds6

About (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine

(3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine (PubChem CID 162574990) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine.

Molecular Properties

Compound Name(3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine
PubChem CID162574990
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name(3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine
SMILES[H]/N=C(C)/C(/C=C\C(=C)C(F)(F)/C=C/C)=C/C(=C)C
InChIInChI=1S/C15H19F2N/c1-6-9-15(16,17)12(4)7-8-14(13(5)18)10-11(2)3/h6-10,18H,2,4H2,1,3,5H3/b8-7-,9-6+,14-10+,18-13+
InChIKeyZAAAEOKFCIPMDA-TWPQYKNESA-N
XLogP4.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.85
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine?
The IUPAC name of (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine (CID 162574990) is (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine.
What is the SMILES notation for (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine?
The canonical SMILES for (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine is [H]/N=C(C)/C(/C=C\C(=C)C(F)(F)/C=C/C)=C/C(=C)C.
What is the InChIKey of (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine?
The InChIKey is ZAAAEOKFCIPMDA-TWPQYKNESA-N. The full InChI is InChI=1S/C15H19F2N/c1-6-9-15(16,17)12(4)7-8-14(13(5)18)10-11(2)3/h6-10,18H,2,4H2,1,3,5H3/b8-7-,9-6+,14-10+,18-13+.
What are the key properties of (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine?
(3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine has a molecular weight of 251.32 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine is sourced from PubChem (CID 162574990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).