(3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide

C7H9FN2O — CID 142573629

IUPAC(3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide
SMILESC=C(F)/C=C\C(=C)/C(N)=N/O
InChIInChI=1S/C7H9FN2O/c1-5(7(9)10-11)3-4-6(2)8/h3-4,11H,1-2H2,(H2,9,10)/b4-3-
InChIKeyBDUGZIDEHWQIQV-ARJAWSKDSA-N
MW156.16 g/mol
LogP1.33
Rot. Bonds3

About (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide

(3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide (PubChem CID 142573629) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide
PubChem CID142573629
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name(3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide
SMILESC=C(F)/C=C\C(=C)/C(N)=N/O
InChIInChI=1S/C7H9FN2O/c1-5(7(9)10-11)3-4-6(2)8/h3-4,11H,1-2H2,(H2,9,10)/b4-3-
InChIKeyBDUGZIDEHWQIQV-ARJAWSKDSA-N
XLogP1.33
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide?
The IUPAC name of (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide (CID 142573629) is (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide.
What is the SMILES notation for (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide?
The canonical SMILES for (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide is C=C(F)/C=C\C(=C)/C(N)=N/O.
What is the InChIKey of (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide?
The InChIKey is BDUGZIDEHWQIQV-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-5(7(9)10-11)3-4-6(2)8/h3-4,11H,1-2H2,(H2,9,10)/b4-3-.
What are the key properties of (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide?
(3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide has a molecular weight of 156.16 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide is sourced from PubChem (CID 142573629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).