(Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine

C7H16FN3O — CID 88911320

IUPAC(Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine
SMILESCNN/C(=C\NCCF)COC
InChIInChI=1S/C7H16FN3O/c1-9-11-7(6-12-2)5-10-4-3-8/h5,9-11H,3-4,6H2,1-2H3/b7-5-
InChIKeyLPUVTIXUCSDNRN-ALCCZGGFSA-N
MW177.22 g/mol
LogP-0.24
Rot. Bonds7

About (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine

(Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine (PubChem CID 88911320) has the molecular formula C7H16FN3O and a molecular weight of 177.22 g/mol. Its IUPAC name is (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine
PubChem CID88911320
Molecular FormulaC7H16FN3O
Molecular Weight177.22 g/mol
Exact Mass177.13
IUPAC Name(Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine
SMILESCNN/C(=C\NCCF)COC
InChIInChI=1S/C7H16FN3O/c1-9-11-7(6-12-2)5-10-4-3-8/h5,9-11H,3-4,6H2,1-2H3/b7-5-
InChIKeyLPUVTIXUCSDNRN-ALCCZGGFSA-N
XLogP-0.24
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine?
The IUPAC name of (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine (CID 88911320) is (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine is CNN/C(=C\NCCF)COC.
What is the InChIKey of (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine?
The InChIKey is LPUVTIXUCSDNRN-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H16FN3O/c1-9-11-7(6-12-2)5-10-4-3-8/h5,9-11H,3-4,6H2,1-2H3/b7-5-.
What are the key properties of (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine?
(Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine has a molecular weight of 177.22 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine is sourced from PubChem (CID 88911320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).