2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide

C11H15F3N2O3 — CID 82791894

IUPAC2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
SMILESCc1oc(COCCCC(F)(F)F)cc1C(=O)NN
InChIInChI=1S/C11H15F3N2O3/c1-7-9(10(17)16-15)5-8(19-7)6-18-4-2-3-11(12,13)14/h5H,2-4,6,15H2,1H3,(H,16,17)
InChIKeyFPEDBRZMOLAFES-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.05
Rot. Bonds6

About 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide

2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide (PubChem CID 82791894) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
PubChem CID82791894
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
SMILESCc1oc(COCCCC(F)(F)F)cc1C(=O)NN
InChIInChI=1S/C11H15F3N2O3/c1-7-9(10(17)16-15)5-8(19-7)6-18-4-2-3-11(12,13)14/h5H,2-4,6,15H2,1H3,(H,16,17)
InChIKeyFPEDBRZMOLAFES-UHFFFAOYSA-N
XLogP2.05
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.05
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

5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide
CID 66322936
N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
CID 82791959
2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
CID 82793157
2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 63575241
2-methyl-5-[(2,4,6-triiodophenoxy)methyl]furan-3-carbohydrazide
CID 63574578
5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102987684
N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
CID 82791750
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-methylfuran-3-carbohydrazide
CID 103175971
5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 63581074
5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 63569641
N-methyl-1-[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methanamine
CID 82956639
5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 55213855

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide (CID 82791894) is 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide is Cc1oc(COCCCC(F)(F)F)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide?
The InChIKey is FPEDBRZMOLAFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-7-9(10(17)16-15)5-8(19-7)6-18-4-2-3-11(12,13)14/h5H,2-4,6,15H2,1H3,(H,16,17).
What are the key properties of 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide?
2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide has a molecular weight of 280.25 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide is sourced from PubChem (CID 82791894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).