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

C7H10FN — CID 89308011

IUPAC(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine
SMILESC=C/C(F)=C(N)\C=C/C
InChIInChI=1S/C7H10FN/c1-3-5-7(9)6(8)4-2/h3-5H,2,9H2,1H3/b5-3-,7-6-
InChIKeyRJSSOUKSMGSZAI-VKLRWAGZSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

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

(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine (PubChem CID 89308011) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine
PubChem CID89308011
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine
SMILESC=C/C(F)=C(N)\C=C/C
InChIInChI=1S/C7H10FN/c1-3-5-7(9)6(8)4-2/h3-5H,2,9H2,1H3/b5-3-,7-6-
InChIKeyRJSSOUKSMGSZAI-VKLRWAGZSA-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 (3Z,5Z)-3-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
(2Z,4Z)-6-fluorohexa-2,4-diene-2,3-diamine
CID 88908044
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(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
(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
CID 89076302
(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
(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine
CID 89259791
(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
CID 89336329
(2E,4E)-5-fluorohexa-2,4-dien-2-amine
CID 89336345

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine?
The IUPAC name of (3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine (CID 89308011) is (3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine?
The canonical SMILES for (3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine is C=C/C(F)=C(N)\C=C/C.
What is the InChIKey of (3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine?
The InChIKey is RJSSOUKSMGSZAI-VKLRWAGZSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-5-7(9)6(8)4-2/h3-5H,2,9H2,1H3/b5-3-,7-6-.
What are the key properties of (3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine?
(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-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 (3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine is sourced from PubChem (CID 89308011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).