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

C7H10FNO — CID 89143650

IUPAC(1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine
SMILESC=C/C(OC)=C(F)\C=C/N
InChIInChI=1S/C7H10FNO/c1-3-7(10-2)6(8)4-5-9/h3-5H,1,9H2,2H3/b5-4-,7-6-
InChIKeyCHBZWOBONSVHIP-RZSVFLSASA-N
MW143.16 g/mol
LogP1.47
Rot. Bonds3

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

(1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine (PubChem CID 89143650) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine
PubChem CID89143650
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine
SMILESC=C/C(OC)=C(F)\C=C/N
InChIInChI=1S/C7H10FNO/c1-3-7(10-2)6(8)4-5-9/h3-5H,1,9H2,2H3/b5-4-,7-6-
InChIKeyCHBZWOBONSVHIP-RZSVFLSASA-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 (1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine (CID 89143650) is (1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine is C=C/C(OC)=C(F)\C=C/N.
What is the InChIKey of (1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine?
The InChIKey is CHBZWOBONSVHIP-RZSVFLSASA-N. The full InChI is InChI=1S/C7H10FNO/c1-3-7(10-2)6(8)4-5-9/h3-5H,1,9H2,2H3/b5-4-,7-6-.
What are the key properties of (1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-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 (1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89143650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).