N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide

C7H11F3N2O2 — CID 139517557

IUPACN'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide
SMILESCNNC(=O)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c1-11-12-6(13)4-2-5(3-4)14-7(8,9)10/h4-5,11H,2-3H2,1H3,(H,12,13)
InChIKeyHMMXXBWVTSDLKQ-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.55
Rot. Bonds3

About N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide

N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide (PubChem CID 139517557) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide
PubChem CID139517557
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC NameN'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide
SMILESCNNC(=O)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c1-11-12-6(13)4-2-5(3-4)14-7(8,9)10/h4-5,11H,2-3H2,1H3,(H,12,13)
InChIKeyHMMXXBWVTSDLKQ-UHFFFAOYSA-N
XLogP0.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(trifluoromethoxy)cyclopentyl]ethanone
CID 138517575
N-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 142528127
methyl 4-[[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]carbamoyl]cyclohexane-1-carboxylate
CID 165399667
N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide
CID 166607219
4-(trifluoromethoxy)cyclohexane-1-carbohydrazide
CID 140551113
(1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride
CID 155254536
2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride
CID 139512501
ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate
CID 137347095
tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate
CID 169260941
N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide
CID 164710930
4-(trifluoromethoxy)piperidine-1-carboxylic acid
CID 118662288
[3-(trifluoromethoxy)cyclobutyl]methanesulfonamide
CID 167725529

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide?
The IUPAC name of N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide (CID 139517557) is N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide.
What is the SMILES notation for N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide?
The canonical SMILES for N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide is CNNC(=O)C1CC(OC(F)(F)F)C1.
What is the InChIKey of N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide?
The InChIKey is HMMXXBWVTSDLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-11-12-6(13)4-2-5(3-4)14-7(8,9)10/h4-5,11H,2-3H2,1H3,(H,12,13).
What are the key properties of N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide?
N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide has a molecular weight of 212.17 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-(trifluoromethoxy)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 139517557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).