(3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine

C7H12FNO — CID 89074002

IUPAC(3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine
SMILESCO/C=C/C=C(/N)CCF
InChIInChI=1S/C7H12FNO/c1-10-6-2-3-7(9)4-5-8/h2-3,6H,4-5,9H2,1H3/b6-2+,7-3+
InChIKeyRMQCJQYLZHTIRI-YPCIICBESA-N
MW145.18 g/mol
LogP1.35
Rot. Bonds4

About (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine

(3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine (PubChem CID 89074002) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine
PubChem CID89074002
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine
SMILESCO/C=C/C=C(/N)CCF
InChIInChI=1S/C7H12FNO/c1-10-6-2-3-7(9)4-5-8/h2-3,6H,4-5,9H2,1H3/b6-2+,7-3+
InChIKeyRMQCJQYLZHTIRI-YPCIICBESA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.35
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine (CID 89074002) is (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine is CO/C=C/C=C(/N)CCF.
What is the InChIKey of (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine?
The InChIKey is RMQCJQYLZHTIRI-YPCIICBESA-N. The full InChI is InChI=1S/C7H12FNO/c1-10-6-2-3-7(9)4-5-8/h2-3,6H,4-5,9H2,1H3/b6-2+,7-3+.
What are the key properties of (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine?
(3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine has a molecular weight of 145.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine is sourced from PubChem (CID 89074002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).