(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine

C11H16F2N2O — CID 142263642

IUPAC(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(F)=C(C(\F)=C/CN)/N1CCOCC1
InChIInChI=1S/C11H16F2N2O/c1-2-9(12)11(10(13)3-4-14)15-5-7-16-8-6-15/h2-3H,1,4-8,14H2/b10-3+,11-9-
InChIKeyTYEGKHCHWZTWEU-PWEHOKFESA-N
MW230.26 g/mol
LogP1.50
Rot. Bonds4

About (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine

(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine (PubChem CID 142263642) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine
PubChem CID142263642
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(F)=C(C(\F)=C/CN)/N1CCOCC1
InChIInChI=1S/C11H16F2N2O/c1-2-9(12)11(10(13)3-4-14)15-5-7-16-8-6-15/h2-3H,1,4-8,14H2/b10-3+,11-9-
InChIKeyTYEGKHCHWZTWEU-PWEHOKFESA-N
XLogP1.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,6-difluorohepta-1,3,5-trien-2-amine
CID 89214778
(2E,4Z)-1-fluoro-6-morpholin-4-ylhexa-2,4-dien-3-amine
CID 89774520
(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
CID 142898847
(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
CID 143062168
(2Z,4Z)-1-morpholin-4-ylhepta-2,4,6-trien-2-amine
CID 88529765
(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine
CID 88899217
(1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine
CID 88943444
(2E)-N-ethenyl-4-morpholin-4-ylpenta-2,4-dien-2-amine
CID 126584068
(2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
CID 129036624
(3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine
CID 134566823
(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine
CID 138711912
ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
CID 142239100

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine (CID 142263642) is (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine is C=C/C(F)=C(C(\F)=C/CN)/N1CCOCC1.
What is the InChIKey of (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine?
The InChIKey is TYEGKHCHWZTWEU-PWEHOKFESA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-2-9(12)11(10(13)3-4-14)15-5-7-16-8-6-15/h2-3H,1,4-8,14H2/b10-3+,11-9-.
What are the key properties of (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine?
(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine has a molecular weight of 230.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 142263642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).