5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide

C11H16F3N3O2 — CID 55215009

IUPAC5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide
SMILESCC(C)N(Cc1ccc(C(=O)NN)o1)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7(2)17(6-11(12,13)14)5-8-3-4-9(19-8)10(18)16-15/h3-4,7H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyMTAIBLVZEFWMNE-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.66
Rot. Bonds5

About 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide

5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 55215009) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide
PubChem CID55215009
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide
SMILESCC(C)N(Cc1ccc(C(=O)NN)o1)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7(2)17(6-11(12,13)14)5-8-3-4-9(19-8)10(18)16-15/h3-4,7H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyMTAIBLVZEFWMNE-UHFFFAOYSA-N
XLogP1.66
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.66
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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Related Compounds

N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62426796
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 63583745
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63584169
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
methyl 5-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]furan-2-carboxylate
CID 38561013
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
CID 55214616
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetohydrazide
CID 63584107
2-nitro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 62182979
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 3346175
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787

Frequently Asked Questions

What is the IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide (CID 55215009) is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide is CC(C)N(Cc1ccc(C(=O)NN)o1)CC(F)(F)F.
What is the InChIKey of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is MTAIBLVZEFWMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7(2)17(6-11(12,13)14)5-8-3-4-9(19-8)10(18)16-15/h3-4,7H,5-6,15H2,1-2H3,(H,16,18).
What are the key properties of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide?
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 279.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55215009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).