(3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine

C8H14FN — CID 166923894

IUPAC(3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine
SMILESC=C(F)/C=C(\CC)NCC
InChIInChI=1S/C8H14FN/c1-4-8(10-5-2)6-7(3)9/h6,10H,3-5H2,1-2H3/b8-6+
InChIKeyHIXPAYSNBWJETN-SOFGYWHQSA-N
MW143.20 g/mol
LogP2.37
Rot. Bonds4

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

(3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine (PubChem CID 166923894) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine
PubChem CID166923894
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine
SMILESC=C(F)/C=C(\CC)NCC
InChIInChI=1S/C8H14FN/c1-4-8(10-5-2)6-7(3)9/h6,10H,3-5H2,1-2H3/b8-6+
InChIKeyHIXPAYSNBWJETN-SOFGYWHQSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.37
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

2-Pyrroline, 2-ethyl-
CID 23422339
5-methyl-2,3-dihydro-1H-pyrrole
CID 19816704
N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
2-(Fluoromethyl)-6-methyl-1,2-dihydropyridine
CID 70459541
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
3,5-difluoro-N-methylcyclopenta-1,3-dien-1-amine
CID 117753793
3-fluoro-N-methylcyclopenta-1,3-dien-1-amine
CID 117753829
4-fluoro-N-methylcyclopenta-1,4-dien-1-amine
CID 117753845
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine
CID 126586946
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine?
The IUPAC name of (3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine (CID 166923894) is (3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine is C=C(F)/C=C(\CC)NCC.
What is the InChIKey of (3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine?
The InChIKey is HIXPAYSNBWJETN-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14FN/c1-4-8(10-5-2)6-7(3)9/h6,10H,3-5H2,1-2H3/b8-6+.
What are the key properties of (3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine?
(3E)-N-ethyl-5-fluorohexa-3,5-dien-3-amine has a molecular weight of 143.20 g/mol, XLogP of 2.37, 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-3,5-dien-3-amine is sourced from PubChem (CID 166923894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).