(3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine

C6H10FNO — CID 135183239

IUPAC(3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine
SMILESC=C(F)/C(N)=C(/C)OC
InChIInChI=1S/C6H10FNO/c1-4(7)6(8)5(2)9-3/h1,8H2,2-3H3/b6-5+
InChIKeyHWKJIPNSOMKGLI-AATRIKPKSA-N
MW131.15 g/mol
LogP1.31
Rot. Bonds2

About (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine

(3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine (PubChem CID 135183239) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine
PubChem CID135183239
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine
SMILESC=C(F)/C(N)=C(/C)OC
InChIInChI=1S/C6H10FNO/c1-4(7)6(8)5(2)9-3/h1,8H2,2-3H3/b6-5+
InChIKeyHWKJIPNSOMKGLI-AATRIKPKSA-N
XLogP1.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 (3E)-2-fluoro-4-methoxypenta-1,3-dien-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

Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine?
The IUPAC name of (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine (CID 135183239) is (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine is C=C(F)/C(N)=C(/C)OC.
What is the InChIKey of (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine?
The InChIKey is HWKJIPNSOMKGLI-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10FNO/c1-4(7)6(8)5(2)9-3/h1,8H2,2-3H3/b6-5+.
What are the key properties of (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine?
(3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine has a molecular weight of 131.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluoro-4-methoxypenta-1,3-dien-3-amine is sourced from PubChem (CID 135183239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).