5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide

C11H17F2N3O3 — CID 107493123

IUPAC5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(CCO)CC(F)F)oc1C(=O)NN
InChIInChI=1S/C11H17F2N3O3/c1-7-4-8(19-10(7)11(18)15-14)5-16(2-3-17)6-9(12)13/h4,9,17H,2-3,5-6,14H2,1H3,(H,15,18)
InChIKeyHYLGFWUFFGPJHK-UHFFFAOYSA-N
MW277.27 g/mol
LogP0.25
Rot. Bonds7

About 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide

5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 107493123) has the molecular formula C11H17F2N3O3 and a molecular weight of 277.27 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide
PubChem CID107493123
Molecular FormulaC11H17F2N3O3
Molecular Weight277.27 g/mol
Exact Mass277.12
IUPAC Name5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(CCO)CC(F)F)oc1C(=O)NN
InChIInChI=1S/C11H17F2N3O3/c1-7-4-8(19-10(7)11(18)15-14)5-16(2-3-17)6-9(12)13/h4,9,17H,2-3,5-6,14H2,1H3,(H,15,18)
InChIKeyHYLGFWUFFGPJHK-UHFFFAOYSA-N
XLogP0.25
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

methyl 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate
CID 107485669
3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide
CID 63579656
5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107206516
5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214220
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 63577547
5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63570130
methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate
CID 60762881
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methylfuran-2-carbohydrazide
CID 63578453
5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63585841
3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63571014
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 107480838
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide (CID 107493123) is 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CN(CCO)CC(F)F)oc1C(=O)NN.
What is the InChIKey of 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is HYLGFWUFFGPJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O3/c1-7-4-8(19-10(7)11(18)15-14)5-16(2-3-17)6-9(12)13/h4,9,17H,2-3,5-6,14H2,1H3,(H,15,18).
What are the key properties of 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 277.27 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 107493123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).