(3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine

C8H12FN — CID 143063072

IUPAC(3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(=C)F)NCC
InChIInChI=1S/C8H12FN/c1-4-8(10-5-2)6-7(3)9/h4,6,10H,1,3,5H2,2H3/b8-6+
InChIKeyLPMRYWOLQPTSPM-SOFGYWHQSA-N
MW141.19 g/mol
LogP2.15
Rot. Bonds4

About (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine

(3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine (PubChem CID 143063072) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine
PubChem CID143063072
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(=C)F)NCC
InChIInChI=1S/C8H12FN/c1-4-8(10-5-2)6-7(3)9/h4,6,10H,1,3,5H2,2H3/b8-6+
InChIKeyLPMRYWOLQPTSPM-SOFGYWHQSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Trifluoromethyl)-1,2-dihydropyridine
CID 19045892
6-(Difluoromethyl)-1,2-dihydropyridine
CID 70500081
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541
3-Fluoro-6-methyl-1,2-dihydropyridine
CID 118486766
5-Fluoro-6-methyl-1,2-dihydropyridine
CID 121322294
(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine
CID 126490173
(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine
CID 126548953
(1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine
CID 130256401
(2E)-4-fluoro-N-methylpenta-2,4-dien-2-amine
CID 130428227
(2E,4Z)-6-fluoro-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine
CID 132129417

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine (CID 143063072) is (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine is C=C/C(=C\C(=C)F)NCC.
What is the InChIKey of (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine?
The InChIKey is LPMRYWOLQPTSPM-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-8(10-5-2)6-7(3)9/h4,6,10H,1,3,5H2,2H3/b8-6+.
What are the key properties of (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine?
(3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine has a molecular weight of 141.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-5-fluorohexa-1,3,5-trien-3-amine is sourced from PubChem (CID 143063072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).