1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide

C12H15FN2O3 — CID 102069508

IUPAC1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CC2F)cc1OC
InChIInChI=1S/C12H15FN2O3/c1-17-8-4-3-7(5-9(8)18-2)12(6-10(12)13)11(16)15-14/h3-5,10H,6,14H2,1-2H3,(H,15,16)
InChIKeyABDWDKKAWLMMEN-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.67
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide

1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide (PubChem CID 102069508) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide
PubChem CID102069508
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CC2F)cc1OC
InChIInChI=1S/C12H15FN2O3/c1-17-8-4-3-7(5-9(8)18-2)12(6-10(12)13)11(16)15-14/h3-5,10H,6,14H2,1-2H3,(H,15,16)
InChIKeyABDWDKKAWLMMEN-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide (CID 102069508) is 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide is COc1ccc(C2(C(=O)NN)CC2F)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide?
The InChIKey is ABDWDKKAWLMMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-17-8-4-3-7(5-9(8)18-2)12(6-10(12)13)11(16)15-14/h3-5,10H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide?
1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide has a molecular weight of 254.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide is sourced from PubChem (CID 102069508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).