(3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine

C7H10FNO — CID 144625075

IUPAC(3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/OC)C(=C)F
InChIInChI=1S/C7H10FNO/c1-4-6(9)7(10-3)5(2)8/h4H,1-2,9H2,3H3/b7-6-
InChIKeyMEZYNQNNZDEZLM-SREVYHEPSA-N
MW143.16 g/mol
LogP1.47
Rot. Bonds3

About (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine

(3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine (PubChem CID 144625075) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine
PubChem CID144625075
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/OC)C(=C)F
InChIInChI=1S/C7H10FNO/c1-4-6(9)7(10-3)5(2)8/h4H,1-2,9H2,3H3/b7-6-
InChIKeyMEZYNQNNZDEZLM-SREVYHEPSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.47
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 (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine (CID 144625075) is (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine is C=C/C(N)=C(/OC)C(=C)F.
What is the InChIKey of (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine?
The InChIKey is MEZYNQNNZDEZLM-SREVYHEPSA-N. The full InChI is InChI=1S/C7H10FNO/c1-4-6(9)7(10-3)5(2)8/h4H,1-2,9H2,3H3/b7-6-.
What are the key properties of (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine?
(3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine has a molecular weight of 143.16 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 144625075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).