2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide

C10H13F3N2O3 — CID 82793157

IUPAC2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COCCCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)3-1-4-17-6-8-7(2-5-18-8)9(16)15-14/h2,5H,1,3-4,6,14H2,(H,15,16)
InChIKeyGHTVXLIXJJRHCQ-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.74
Rot. Bonds6

About 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide

2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide (PubChem CID 82793157) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
PubChem CID82793157
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COCCCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)3-1-4-17-6-8-7(2-5-18-8)9(16)15-14/h2,5H,1,3-4,6,14H2,(H,15,16)
InChIKeyGHTVXLIXJJRHCQ-UHFFFAOYSA-N
XLogP1.74
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(octoxymethyl)furan-3-carbohydrazide
CID 63574840
2-[2-(2-methoxyethoxy)ethoxymethyl]furan-3-carbohydrazide
CID 104567494
2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
CID 82791894
2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide
CID 63569313
2-(cyclohexyloxymethyl)furan-3-carbohydrazide
CID 63588139
6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide
CID 106908961
2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 64740338
2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 116690676
2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63568549
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
CID 63571060

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide?
The IUPAC name of 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide (CID 82793157) is 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide is NNC(=O)c1ccoc1COCCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide?
The InChIKey is GHTVXLIXJJRHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c11-10(12,13)3-1-4-17-6-8-7(2-5-18-8)9(16)15-14/h2,5H,1,3-4,6,14H2,(H,15,16).
What are the key properties of 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide?
2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide has a molecular weight of 266.22 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide is sourced from PubChem (CID 82793157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).