(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine

C8H12FN — CID 89076302

IUPAC(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
SMILESC/C=C\C=C(N)/C(F)=C\C
InChIInChI=1S/C8H12FN/c1-3-5-6-8(10)7(9)4-2/h3-6H,10H2,1-2H3/b5-3-,7-4+,8-6+
InChIKeyLFGIUGYVNYLWQB-MCEUHYDUSA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

About (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine

(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine (PubChem CID 89076302) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
PubChem CID89076302
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
SMILESC/C=C\C=C(N)/C(F)=C\C
InChIInChI=1S/C8H12FN/c1-3-5-6-8(10)7(9)4-2/h3-6H,10H2,1-2H3/b5-3-,7-4+,8-6+
InChIKeyLFGIUGYVNYLWQB-MCEUHYDUSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine?
The IUPAC name of (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine (CID 89076302) is (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine.
What is the SMILES notation for (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine?
The canonical SMILES for (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine is C/C=C\C=C(N)/C(F)=C\C.
What is the InChIKey of (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine?
The InChIKey is LFGIUGYVNYLWQB-MCEUHYDUSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-5-6-8(10)7(9)4-2/h3-6H,10H2,1-2H3/b5-3-,7-4+,8-6+.
What are the key properties of (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine?
(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine has a molecular weight of 141.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine is sourced from PubChem (CID 89076302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).