(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine

C10H15FN2O — CID 142898847

IUPAC(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)N1CCOCC1
InChIInChI=1S/C10H15FN2O/c1-8(12)7-10(11)9(2)13-3-5-14-6-4-13/h7H,1-6,12H2/b10-7+
InChIKeyXVDHAOQIOBJJRO-JXMROGBWSA-N
MW198.24 g/mol
LogP1.16
Rot. Bonds3

About (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine

(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine (PubChem CID 142898847) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
PubChem CID142898847
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)N1CCOCC1
InChIInChI=1S/C10H15FN2O/c1-8(12)7-10(11)9(2)13-3-5-14-6-4-13/h7H,1-6,12H2/b10-7+
InChIKeyXVDHAOQIOBJJRO-JXMROGBWSA-N
XLogP1.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.16
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

(2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine
CID 89073873
(3E,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,7-difluorohepta-1,3,5-trien-3-amine
CID 89154042
(3E,5Z)-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,6-difluorohepta-1,3,5-trien-2-amine
CID 89214778
(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine
CID 89215137
(2E,4Z)-1-fluoro-6-morpholin-4-ylhexa-2,4-dien-3-amine
CID 89774520
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
CID 135170053
(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
CID 143062168
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
CID 143431081
(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine
CID 142263642
4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]morpholine
CID 145563850
(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

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine (CID 142898847) is (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine is C=C(N)/C=C(/F)C(=C)N1CCOCC1.
What is the InChIKey of (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine?
The InChIKey is XVDHAOQIOBJJRO-JXMROGBWSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-8(12)7-10(11)9(2)13-3-5-14-6-4-13/h7H,1-6,12H2/b10-7+.
What are the key properties of (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine?
(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine has a molecular weight of 198.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142898847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).