(4-fluoro-3-propoxyphenyl)methylidenehydrazine

C10H13FN2O — CID 168529277

IUPAC(4-fluoro-3-propoxyphenyl)methylidenehydrazine
SMILESCCCOc1cc(C=NN)ccc1F
InChIInChI=1S/C10H13FN2O/c1-2-5-14-10-6-8(7-13-12)3-4-9(10)11/h3-4,6-7H,2,5,12H2,1H3
InChIKeyUPMPQGWWWWLMDW-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.91
Rot. Bonds4

About (4-fluoro-3-propoxyphenyl)methylidenehydrazine

(4-fluoro-3-propoxyphenyl)methylidenehydrazine (PubChem CID 168529277) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is (4-fluoro-3-propoxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(4-fluoro-3-propoxyphenyl)methylidenehydrazine
PubChem CID168529277
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name(4-fluoro-3-propoxyphenyl)methylidenehydrazine
SMILESCCCOc1cc(C=NN)ccc1F
InChIInChI=1S/C10H13FN2O/c1-2-5-14-10-6-8(7-13-12)3-4-9(10)11/h3-4,6-7H,2,5,12H2,1H3
InChIKeyUPMPQGWWWWLMDW-UHFFFAOYSA-N
XLogP1.91
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (4-fluoro-3-propoxyphenyl)methylidenehydrazine?
The IUPAC name of (4-fluoro-3-propoxyphenyl)methylidenehydrazine (CID 168529277) is (4-fluoro-3-propoxyphenyl)methylidenehydrazine.
What is the SMILES notation for (4-fluoro-3-propoxyphenyl)methylidenehydrazine?
The canonical SMILES for (4-fluoro-3-propoxyphenyl)methylidenehydrazine is CCCOc1cc(C=NN)ccc1F.
What is the InChIKey of (4-fluoro-3-propoxyphenyl)methylidenehydrazine?
The InChIKey is UPMPQGWWWWLMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-2-5-14-10-6-8(7-13-12)3-4-9(10)11/h3-4,6-7H,2,5,12H2,1H3.
What are the key properties of (4-fluoro-3-propoxyphenyl)methylidenehydrazine?
(4-fluoro-3-propoxyphenyl)methylidenehydrazine has a molecular weight of 196.22 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-propoxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168529277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).