(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine

C7H10FN — CID 89074081

IUPAC(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C=C/CF
InChIInChI=1S/C7H10FN/c1-2-4-7(9)5-3-6-8/h2-5H,1,6,9H2/b5-3-,7-4+
InChIKeyDXRUBEHJVVDQKJ-XKSOLRDRSA-N
MW127.16 g/mol
LogP1.54
Rot. Bonds3

About (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine

(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine (PubChem CID 89074081) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
PubChem CID89074081
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C=C/CF
InChIInChI=1S/C7H10FN/c1-2-4-7(9)5-3-6-8/h2-5H,1,6,9H2/b5-3-,7-4+
InChIKeyDXRUBEHJVVDQKJ-XKSOLRDRSA-N
XLogP1.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-7-fluorohepta-1,3,5-trien-4-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
(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine
CID 88874406
(2Z,4Z)-6-fluorohexa-2,4-diene-2,3-diamine
CID 88908044
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine
CID 89025484
(2Z,4Z)-5-fluoropenta-2,4-dien-2-amine
CID 89029579
(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
CID 89073850
(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
CID 89076302
4-Fluorocyclohepta-1,3,6-trien-1-amine
CID 89134403
(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
(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine
CID 89259791

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine (CID 89074081) is (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine is C=C/C=C(N)\C=C/CF.
What is the InChIKey of (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine?
The InChIKey is DXRUBEHJVVDQKJ-XKSOLRDRSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-4-7(9)5-3-6-8/h2-5H,1,6,9H2/b5-3-,7-4+.
What are the key properties of (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine?
(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine has a molecular weight of 127.16 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine is sourced from PubChem (CID 89074081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).