(2E,4E)-2-fluorohepta-2,4-dien-4-amine

C7H12FN — CID 88953573

IUPAC(2E,4E)-2-fluorohepta-2,4-dien-4-amine
SMILESCC/C=C(N)\C=C(/C)F
InChIInChI=1S/C7H12FN/c1-3-4-7(9)5-6(2)8/h4-5H,3,9H2,1-2H3/b6-5+,7-4+
InChIKeyQQWWFFBVZKXGJJ-HVUXDCMCSA-N
MW129.18 g/mol
LogP2.11
Rot. Bonds2

About (2E,4E)-2-fluorohepta-2,4-dien-4-amine

(2E,4E)-2-fluorohepta-2,4-dien-4-amine (PubChem CID 88953573) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2E,4E)-2-fluorohepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2E,4E)-2-fluorohepta-2,4-dien-4-amine
PubChem CID88953573
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2E,4E)-2-fluorohepta-2,4-dien-4-amine
SMILESCC/C=C(N)\C=C(/C)F
InChIInChI=1S/C7H12FN/c1-3-4-7(9)5-6(2)8/h4-5H,3,9H2,1-2H3/b6-5+,7-4+
InChIKeyQQWWFFBVZKXGJJ-HVUXDCMCSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-2-fluorohepta-2,4-dien-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

Ethylpropylene amine
CID 12141752
3-Amino-2-penten
CID 85435382
2-Propylidene allyl amine
CID 129776872
6-Fluorocyclohexa-1,5-dien-1-amine
CID 17949770
4-Fluorocyclohexa-1,3-dien-1-amine
CID 68030455
4,5-Difluorocyclohexa-1,5-dien-1-amine
CID 68322278
4-Fluorocyclohexa-1,5-dien-1-amine
CID 68342081
5-Fluorocyclohexa-1,5-dien-1-amine
CID 68342260
3,5-Difluorocyclohexa-1,5-dien-1-amine
CID 70309077
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-fluorohepta-2,4-dien-4-amine?
The IUPAC name of (2E,4E)-2-fluorohepta-2,4-dien-4-amine (CID 88953573) is (2E,4E)-2-fluorohepta-2,4-dien-4-amine.
What is the SMILES notation for (2E,4E)-2-fluorohepta-2,4-dien-4-amine?
The canonical SMILES for (2E,4E)-2-fluorohepta-2,4-dien-4-amine is CC/C=C(N)\C=C(/C)F.
What is the InChIKey of (2E,4E)-2-fluorohepta-2,4-dien-4-amine?
The InChIKey is QQWWFFBVZKXGJJ-HVUXDCMCSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-4-7(9)5-6(2)8/h4-5H,3,9H2,1-2H3/b6-5+,7-4+.
What are the key properties of (2E,4E)-2-fluorohepta-2,4-dien-4-amine?
(2E,4E)-2-fluorohepta-2,4-dien-4-amine has a molecular weight of 129.18 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-fluorohepta-2,4-dien-4-amine is sourced from PubChem (CID 88953573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).