(1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine

C8H12FN — CID 118569124

IUPAC(1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine
SMILESC=C/C(F)=C\C(=C/N)CC
InChIInChI=1S/C8H12FN/c1-3-7(6-10)5-8(9)4-2/h4-6H,2-3,10H2,1H3/b7-6-,8-5+
InChIKeyXRDXDEDFXVOACX-WNXMRAAYSA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds3

About (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine

(1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine (PubChem CID 118569124) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine
PubChem CID118569124
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine
SMILESC=C/C(F)=C\C(=C/N)CC
InChIInChI=1S/C8H12FN/c1-3-7(6-10)5-8(9)4-2/h4-6H,2-3,10H2,1H3/b7-6-,8-5+
InChIKeyXRDXDEDFXVOACX-WNXMRAAYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.28
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

Octadienylamine
CID 22119560
Aminooctadiene
CID 73866044
(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 87085214
(1E,3Z,6E)-1,6-difluoro-4-methylhepta-1,3,6-triene-1,7-diamine
CID 87422780
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine
CID 88563567
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
CID 88579423
(1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine
CID 88579425
(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 88961311
(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine
CID 89033831
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine (CID 118569124) is (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine is C=C/C(F)=C\C(=C/N)CC.
What is the InChIKey of (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine?
The InChIKey is XRDXDEDFXVOACX-WNXMRAAYSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-7(6-10)5-8(9)4-2/h4-6H,2-3,10H2,1H3/b7-6-,8-5+.
What are the key properties of (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine?
(1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine is sourced from PubChem (CID 118569124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).