(3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine

C18H25F2N — CID 155371817

IUPAC(3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine
SMILESC=C(CC(=C)/C(=C/C)C(=C)CC)C(=C/C)/C(=N/C)C(F)F
InChIInChI=1S/C18H25F2N/c1-8-12(4)15(9-2)13(5)11-14(6)16(10-3)17(21-7)18(19)20/h9-10,18H,4-6,8,11H2,1-3,7H3/b15-9+,16-10-,21-17-
InChIKeyUCYHGCHNNSLULA-INQNEMJOSA-N
MW293.40 g/mol
LogP5.68
Rot. Bonds8

About (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine

(3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine (PubChem CID 155371817) has the molecular formula C18H25F2N and a molecular weight of 293.40 g/mol. Its IUPAC name is (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine.

Molecular Properties

Compound Name(3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine
PubChem CID155371817
Molecular FormulaC18H25F2N
Molecular Weight293.40 g/mol
Exact Mass293.20
IUPAC Name(3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine
SMILESC=C(CC(=C)/C(=C/C)C(=C)CC)C(=C/C)/C(=N/C)C(F)F
InChIInChI=1S/C18H25F2N/c1-8-12(4)15(9-2)13(5)11-14(6)16(10-3)17(21-7)18(19)20/h9-10,18H,4-6,8,11H2,1-3,7H3/b15-9+,16-10-,21-17-
InChIKeyUCYHGCHNNSLULA-INQNEMJOSA-N
XLogP5.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.40
LogP ≤ 55.68
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 (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine?
The IUPAC name of (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine (CID 155371817) is (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine.
What is the SMILES notation for (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine?
The canonical SMILES for (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine is C=C(CC(=C)/C(=C/C)C(=C)CC)C(=C/C)/C(=N/C)C(F)F.
What is the InChIKey of (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine?
The InChIKey is UCYHGCHNNSLULA-INQNEMJOSA-N. The full InChI is InChI=1S/C18H25F2N/c1-8-12(4)15(9-2)13(5)11-14(6)16(10-3)17(21-7)18(19)20/h9-10,18H,4-6,8,11H2,1-3,7H3/b15-9+,16-10-,21-17-.
What are the key properties of (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine?
(3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine has a molecular weight of 293.40 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine is sourced from PubChem (CID 155371817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).