(1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine

C9H16FN3O — CID 134448571

IUPAC(1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine
SMILESC=C(F)COC/C=C(C)\C(=C/N)NN
InChIInChI=1S/C9H16FN3O/c1-7(9(5-11)13-12)3-4-14-6-8(2)10/h3,5,13H,2,4,6,11-12H2,1H3/b7-3-,9-5+
InChIKeyQZHSQPPASNFGAJ-NINQLNBYSA-N
MW201.24 g/mol
LogP0.70
Rot. Bonds6

About (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine

(1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine (PubChem CID 134448571) has the molecular formula C9H16FN3O and a molecular weight of 201.24 g/mol. Its IUPAC name is (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine
PubChem CID134448571
Molecular FormulaC9H16FN3O
Molecular Weight201.24 g/mol
Exact Mass201.13
IUPAC Name(1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine
SMILESC=C(F)COC/C=C(C)\C(=C/N)NN
InChIInChI=1S/C9H16FN3O/c1-7(9(5-11)13-12)3-4-14-6-8(2)10/h3,5,13H,2,4,6,11-12H2,1H3/b7-3-,9-5+
InChIKeyQZHSQPPASNFGAJ-NINQLNBYSA-N
XLogP0.70
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine (CID 134448571) is (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine is C=C(F)COC/C=C(C)\C(=C/N)NN.
What is the InChIKey of (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine?
The InChIKey is QZHSQPPASNFGAJ-NINQLNBYSA-N. The full InChI is InChI=1S/C9H16FN3O/c1-7(9(5-11)13-12)3-4-14-6-8(2)10/h3,5,13H,2,4,6,11-12H2,1H3/b7-3-,9-5+.
What are the key properties of (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine?
(1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine has a molecular weight of 201.24 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-(2-fluoroprop-2-enoxy)-2-hydrazinyl-3-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 134448571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).