(3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine

C13H18F4N2O — CID 89154031

IUPAC(3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine
SMILESC=C(F)/C(N)=C(F)\C(F)=C(/CF)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18F4N2O/c1-7-5-19(6-8(2)20-7)10(4-14)11(16)12(17)13(18)9(3)15/h7-8H,3-6,18H2,1-2H3/b11-10-,13-12-
InChIKeyYNATVDGMMCGWOJ-FQEMRORKSA-N
MW294.29 g/mol
LogP2.87
Rot. Bonds4

About (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine

(3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine (PubChem CID 89154031) has the molecular formula C13H18F4N2O and a molecular weight of 294.29 g/mol. Its IUPAC name is (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine
PubChem CID89154031
Molecular FormulaC13H18F4N2O
Molecular Weight294.29 g/mol
Exact Mass294.14
IUPAC Name(3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine
SMILESC=C(F)/C(N)=C(F)\C(F)=C(/CF)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18F4N2O/c1-7-5-19(6-8(2)20-7)10(4-14)11(16)12(17)13(18)9(3)15/h7-8H,3-6,18H2,1-2H3/b11-10-,13-12-
InChIKeyYNATVDGMMCGWOJ-FQEMRORKSA-N
XLogP2.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine (CID 89154031) is (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine is C=C(F)/C(N)=C(F)\C(F)=C(/CF)N1CC(C)OC(C)C1.
What is the InChIKey of (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine?
The InChIKey is YNATVDGMMCGWOJ-FQEMRORKSA-N. The full InChI is InChI=1S/C13H18F4N2O/c1-7-5-19(6-8(2)20-7)10(4-14)11(16)12(17)13(18)9(3)15/h7-8H,3-6,18H2,1-2H3/b11-10-,13-12-.
What are the key properties of (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine?
(3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine has a molecular weight of 294.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3,5-trien-3-amine is sourced from PubChem (CID 89154031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).