N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine

C17H27F2N — CID 166651600

IUPACN-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine
SMILESC/C=N/C(=C\C(C)C(/C=C(\C)C(C)C)=C\C)C(C)(F)F
InChIInChI=1S/C17H27F2N/c1-8-15(10-13(5)12(3)4)14(6)11-16(20-9-2)17(7,18)19/h8-12,14H,1-7H3/b13-10+,15-8-,16-11-,20-9+
InChIKeyYLELSLLHWZQNHD-WFMHMZBPSA-N
MW283.41 g/mol
LogP5.80
Rot. Bonds6

About N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine

N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine (PubChem CID 166651600) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine
PubChem CID166651600
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine
SMILESC/C=N/C(=C\C(C)C(/C=C(\C)C(C)C)=C\C)C(C)(F)F
InChIInChI=1S/C17H27F2N/c1-8-15(10-13(5)12(3)4)14(6)11-16(20-9-2)17(7,18)19/h8-12,14H,1-7H3/b13-10+,15-8-,16-11-,20-9+
InChIKeyYLELSLLHWZQNHD-WFMHMZBPSA-N
XLogP5.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.41
LogP ≤ 55.80
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 N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine?
The IUPAC name of N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine (CID 166651600) is N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine.
What is the SMILES notation for N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine?
The canonical SMILES for N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine is C/C=N/C(=C\C(C)C(/C=C(\C)C(C)C)=C\C)C(C)(F)F.
What is the InChIKey of N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine?
The InChIKey is YLELSLLHWZQNHD-WFMHMZBPSA-N. The full InChI is InChI=1S/C17H27F2N/c1-8-15(10-13(5)12(3)4)14(6)11-16(20-9-2)17(7,18)19/h8-12,14H,1-7H3/b13-10+,15-8-,16-11-,20-9+.
What are the key properties of N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine?
N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine has a molecular weight of 283.41 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,6E,7E)-6-ethylidene-2,2-difluoro-5,8,9-trimethyldeca-3,7-dien-3-yl]ethanimine is sourced from PubChem (CID 166651600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).