(2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol

C7H12FNO — CID 156715069

IUPAC(2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol
SMILESCC/C=C(O)\C(F)=C/CN
InChIInChI=1S/C7H12FNO/c1-2-3-7(10)6(8)4-5-9/h3-4,10H,2,5,9H2,1H3/b6-4+,7-3+
InChIKeyHKCWRTIPVNFYAF-DVFLZCIWSA-N
MW145.18 g/mol
LogP1.65
Rot. Bonds3

About (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol

(2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol (PubChem CID 156715069) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol.

Molecular Properties

Compound Name(2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol
PubChem CID156715069
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol
SMILESCC/C=C(O)\C(F)=C/CN
InChIInChI=1S/C7H12FNO/c1-2-3-7(10)6(8)4-5-9/h3-4,10H,2,5,9H2,1H3/b6-4+,7-3+
InChIKeyHKCWRTIPVNFYAF-DVFLZCIWSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol?
The IUPAC name of (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol (CID 156715069) is (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol.
What is the SMILES notation for (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol?
The canonical SMILES for (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol is CC/C=C(O)\C(F)=C/CN.
What is the InChIKey of (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol?
The InChIKey is HKCWRTIPVNFYAF-DVFLZCIWSA-N. The full InChI is InChI=1S/C7H12FNO/c1-2-3-7(10)6(8)4-5-9/h3-4,10H,2,5,9H2,1H3/b6-4+,7-3+.
What are the key properties of (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol?
(2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol has a molecular weight of 145.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol is sourced from PubChem (CID 156715069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).