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

C6H10FNO — CID 176713944

IUPAC(1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine
SMILESC/C=C(\C=C(/N)F)OC
InChIInChI=1S/C6H10FNO/c1-3-5(9-2)4-6(7)8/h3-4H,8H2,1-2H3/b5-3+,6-4-
InChIKeyWUDPFVAFOZEREW-UZNMPDEFSA-N
MW131.15 g/mol
LogP1.31
Rot. Bonds2

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

(1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine (PubChem CID 176713944) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine
PubChem CID176713944
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine
SMILESC/C=C(\C=C(/N)F)OC
InChIInChI=1S/C6H10FNO/c1-3-5(9-2)4-6(7)8/h3-4H,8H2,1-2H3/b5-3+,6-4-
InChIKeyWUDPFVAFOZEREW-UZNMPDEFSA-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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine (CID 176713944) is (1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine is C/C=C(\C=C(/N)F)OC.
What is the InChIKey of (1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine?
The InChIKey is WUDPFVAFOZEREW-UZNMPDEFSA-N. The full InChI is InChI=1S/C6H10FNO/c1-3-5(9-2)4-6(7)8/h3-4H,8H2,1-2H3/b5-3+,6-4-.
What are the key properties of (1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine?
(1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-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 (1E,3E)-1-fluoro-3-methoxypenta-1,3-dien-1-amine is sourced from PubChem (CID 176713944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).