(6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine

C16H23F3N2 — CID 143910840

IUPAC(6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine
SMILESC=C/C(C(=C)CC=CC(N)N(C)C)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-6-9-14(16(17,18)19)13(7-2)12(3)10-8-11-15(20)21(4)5/h6-9,11,15H,2-3,10,20H2,1,4-5H3/b9-6-,11-8?,14-13-
InChIKeyBDJGKPYYCYYABY-DLHRUKPVSA-N
MW300.37 g/mol
LogP3.96
Rot. Bonds7

About (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine

(6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine (PubChem CID 143910840) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine.

Molecular Properties

Compound Name(6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine
PubChem CID143910840
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name(6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine
SMILESC=C/C(C(=C)CC=CC(N)N(C)C)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-6-9-14(16(17,18)19)13(7-2)12(3)10-8-11-15(20)21(4)5/h6-9,11,15H,2-3,10,20H2,1,4-5H3/b9-6-,11-8?,14-13-
InChIKeyBDJGKPYYCYYABY-DLHRUKPVSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine?
The IUPAC name of (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine (CID 143910840) is (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine.
What is the SMILES notation for (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine?
The canonical SMILES for (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine is C=C/C(C(=C)CC=CC(N)N(C)C)=C(\C=C/C)C(F)(F)F.
What is the InChIKey of (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine?
The InChIKey is BDJGKPYYCYYABY-DLHRUKPVSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-6-9-14(16(17,18)19)13(7-2)12(3)10-8-11-15(20)21(4)5/h6-9,11,15H,2-3,10,20H2,1,4-5H3/b9-6-,11-8?,14-13-.
What are the key properties of (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine?
(6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine has a molecular weight of 300.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-6-ethenyl-1-N',1-N'-dimethyl-5-methylidene-7-(trifluoromethyl)deca-2,6,8-triene-1,1-diamine is sourced from PubChem (CID 143910840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).