(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine

C9H14FN — CID 88935075

IUPAC(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine
SMILESC=CNC/C(C)=C/C=C(\C)F
InChIInChI=1S/C9H14FN/c1-4-11-7-8(2)5-6-9(3)10/h4-6,11H,1,7H2,2-3H3/b8-5+,9-6+
InChIKeyTXPJATDOAXEDMG-XVYDYJIPSA-N
MW155.22 g/mol
LogP2.54
Rot. Bonds4

About (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine

(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine (PubChem CID 88935075) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine
PubChem CID88935075
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine
SMILESC=CNC/C(C)=C/C=C(\C)F
InChIInChI=1S/C9H14FN/c1-4-11-7-8(2)5-6-9(3)10/h4-6,11H,1,7H2,2-3H3/b8-5+,9-6+
InChIKeyTXPJATDOAXEDMG-XVYDYJIPSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Trifluoromethyl)-1,2-dihydropyridine
CID 18330446
3-Fluoro-4-methyl-1,2-dihydropyridine
CID 89160332
2-Fluoro-3-methyl-1,2-dihydropyridine
CID 89243579
2-Fluoro-4-methyl-1,2-dihydropyridine
CID 89245132
(2R)-2-fluoro-4-methyl-1,2-dihydropyridine
CID 118478982
(2Z)-3-fluoro-N,2-dimethylpenta-2,4-dien-1-amine
CID 124188880
(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine
CID 138478269
(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine
CID 138628392
(2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine
CID 142825285
[(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium
CID 142969581
(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine
CID 143114210
(2E)-N-ethenyl-3-fluoro-2-(1-fluoroethenyl)-4-methylpenta-2,4-dien-1-amine
CID 144074886

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine (CID 88935075) is (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine is C=CNC/C(C)=C/C=C(\C)F.
What is the InChIKey of (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine?
The InChIKey is TXPJATDOAXEDMG-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-11-7-8(2)5-6-9(3)10/h4-6,11H,1,7H2,2-3H3/b8-5+,9-6+.
What are the key properties of (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine?
(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine has a molecular weight of 155.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 88935075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).