N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide

C16H21F3N2O — CID 118233780

IUPACN'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide
SMILESC=C(/C=C\C(=C/C)OC(F)(F)F)CCC(=C)/N=C/N=C(C)C
InChIInChI=1S/C16H21F3N2O/c1-6-15(22-16(17,18)19)10-8-13(4)7-9-14(5)21-11-20-12(2)3/h6,8,10-11H,4-5,7,9H2,1-3H3/b10-8-,15-6+,21-11+
InChIKeyFWOFIQRLBOXPTA-FFVZMCJYSA-N
MW314.35 g/mol
LogP5.34
Rot. Bonds8

About N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide

N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide (PubChem CID 118233780) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide
PubChem CID118233780
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide
SMILESC=C(/C=C\C(=C/C)OC(F)(F)F)CCC(=C)/N=C/N=C(C)C
InChIInChI=1S/C16H21F3N2O/c1-6-15(22-16(17,18)19)10-8-13(4)7-9-14(5)21-11-20-12(2)3/h6,8,10-11H,4-5,7,9H2,1-3H3/b10-8-,15-6+,21-11+
InChIKeyFWOFIQRLBOXPTA-FFVZMCJYSA-N
XLogP5.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.35
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide?
The IUPAC name of N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide (CID 118233780) is N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide.
What is the SMILES notation for N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide?
The canonical SMILES for N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide is C=C(/C=C\C(=C/C)OC(F)(F)F)CCC(=C)/N=C/N=C(C)C.
What is the InChIKey of N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide?
The InChIKey is FWOFIQRLBOXPTA-FFVZMCJYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-6-15(22-16(17,18)19)10-8-13(4)7-9-14(5)21-11-20-12(2)3/h6,8,10-11H,4-5,7,9H2,1-3H3/b10-8-,15-6+,21-11+.
What are the key properties of N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide?
N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide has a molecular weight of 314.35 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6Z,8E)-5-methylidene-8-(trifluoromethoxy)deca-1,6,8-trien-2-yl]-N-propan-2-ylidenemethanimidamide is sourced from PubChem (CID 118233780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).