(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine

C7H10FN — CID 89336329

IUPAC(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
SMILESC/C=C(N)\C=C/C=C/F
InChIInChI=1S/C7H10FN/c1-2-7(9)5-3-4-6-8/h2-6H,9H2,1H3/b5-3-,6-4+,7-2+
InChIKeyJFDUZVSKQBGPPC-OMYCZDOZSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

About (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine

(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine (PubChem CID 89336329) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
PubChem CID89336329
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
SMILESC/C=C(N)\C=C/C=C/F
InChIInChI=1S/C7H10FN/c1-2-7(9)5-3-4-6-8/h2-6H,9H2,1H3/b5-3-,6-4+,7-2+
InChIKeyJFDUZVSKQBGPPC-OMYCZDOZSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E)-7-fluorohepta-2,4,6-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

(3E)-3-fluorohexa-1,3,5-trien-2-amine
CID 88544925
(2Z,4Z)-6-fluorohexa-2,4-diene-2,3-diamine
CID 88908044
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(2E,4E)-2-fluorohepta-2,4-dien-4-amine
CID 88953573
(2Z,4Z)-5-fluoropenta-2,4-dien-2-amine
CID 89029579
(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
CID 89073850
(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
CID 89074081
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine
CID 89074088
(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
CID 89076302
(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine
CID 89153748
(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-amine
CID 89189499
(3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine
CID 89214739

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine (CID 89336329) is (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine is C/C=C(N)\C=C/C=C/F.
What is the InChIKey of (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine?
The InChIKey is JFDUZVSKQBGPPC-OMYCZDOZSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-7(9)5-3-4-6-8/h2-6H,9H2,1H3/b5-3-,6-4+,7-2+.
What are the key properties of (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine?
(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine has a molecular weight of 127.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine is sourced from PubChem (CID 89336329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).