5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide

C14H13FN2O4 — CID 107693729

IUPAC5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(COc2ccc(C=O)cc2F)oc1C(=O)NN
InChIInChI=1S/C14H13FN2O4/c1-8-4-10(21-13(8)14(19)17-16)7-20-12-3-2-9(6-18)5-11(12)15/h2-6H,7,16H2,1H3,(H,17,19)
InChIKeyPAQSGHCGPKWYKU-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.72
Rot. Bonds5

About 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide

5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 107693729) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide
PubChem CID107693729
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(COc2ccc(C=O)cc2F)oc1C(=O)NN
InChIInChI=1S/C14H13FN2O4/c1-8-4-10(21-13(8)14(19)17-16)7-20-12-3-2-9(6-18)5-11(12)15/h2-6H,7,16H2,1H3,(H,17,19)
InChIKeyPAQSGHCGPKWYKU-UHFFFAOYSA-N
XLogP1.72
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,5-difluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63570196
5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
CID 107693712
4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
CID 107693710
5-[(2,5-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63575292
5-[(2,4-dibromophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574546
5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 83234267
5-[(2,3-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574357
5-[(4-bromo-2-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620804
5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620851
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
5-[[3-(methoxymethyl)phenoxy]methyl]-3-methylfuran-2-carbohydrazide
CID 63985457
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methylfuran-2-carbohydrazide
CID 63574877

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide (CID 107693729) is 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(COc2ccc(C=O)cc2F)oc1C(=O)NN.
What is the InChIKey of 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is PAQSGHCGPKWYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-8-4-10(21-13(8)14(19)17-16)7-20-12-3-2-9(6-18)5-11(12)15/h2-6H,7,16H2,1H3,(H,17,19).
What are the key properties of 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide?
5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 292.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 107693729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).