(2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine

C12H20F2N2O — CID 89073873

IUPAC(2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine
SMILESC[C@@H]1CN(/C(=C/C=C(/N)CF)CF)C[C@H](C)O1
InChIInChI=1S/C12H20F2N2O/c1-9-7-16(8-10(2)17-9)12(6-14)4-3-11(15)5-13/h3-4,9-10H,5-8,15H2,1-2H3/b11-3+,12-4+/t9-,10+
InChIKeyGDLHTMLQJHKJLN-FTEUKKGVSA-N
MW246.30 g/mol
LogP1.76
Rot. Bonds4

About (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine

(2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine (PubChem CID 89073873) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine
PubChem CID89073873
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine
SMILESC[C@@H]1CN(/C(=C/C=C(/N)CF)CF)C[C@H](C)O1
InChIInChI=1S/C12H20F2N2O/c1-9-7-16(8-10(2)17-9)12(6-14)4-3-11(15)5-13/h3-4,9-10H,5-8,15H2,1-2H3/b11-3+,12-4+/t9-,10+
InChIKeyGDLHTMLQJHKJLN-FTEUKKGVSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.76
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 (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine (CID 89073873) is (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine is C[C@@H]1CN(/C(=C/C=C(/N)CF)CF)C[C@H](C)O1.
What is the InChIKey of (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine?
The InChIKey is GDLHTMLQJHKJLN-FTEUKKGVSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-9-7-16(8-10(2)17-9)12(6-14)4-3-11(15)5-13/h3-4,9-10H,5-8,15H2,1-2H3/b11-3+,12-4+/t9-,10+.
What are the key properties of (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine?
(2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine has a molecular weight of 246.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine is sourced from PubChem (CID 89073873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).