3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide

C11H12F4N2O2 — CID 950009

IUPAC3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-7-2-1-3-8(4-7)9(18)17-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyYXCILWKAITTYSQ-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.71
Rot. Bonds6

About 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide

3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide (PubChem CID 950009) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide
PubChem CID950009
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-7-2-1-3-8(4-7)9(18)17-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyYXCILWKAITTYSQ-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide 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

4-[(2,2,3,3-Tetrafluoropropoxy)methyl]benzohydrazide
CID 844060
4-[(2,2,2-Trifluoroethoxy)methyl]benzohydrazide
CID 3611837
Benzamide, 3-((acetyloxy)methyl)-
CID 182775
Ethyl (4-hydrazinocarbonyl)benzoate
CID 13351511
[2-[2-(2-Fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 7838830
1-(4-Fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbohydrazide
CID 129875155
1-Ethyl-3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]thiourea
CID 5044872
3-[Fluoro(methoxy)methyl]benzamide
CID 57074671
N'-(2-phenylmethoxyacetyl)-4-(trifluoromethyl)benzohydrazide
CID 57598170
ethyl 4-[(1S)-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]ethyl]benzoate
CID 57882744
ethyl 4-[(1R)-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]ethyl]benzoate
CID 57882766
3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]benzamide
CID 58044571

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide (CID 950009) is 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide is NNC(=O)c1cccc(COCC(F)(F)C(F)F)c1.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide?
The InChIKey is YXCILWKAITTYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-7-2-1-3-8(4-7)9(18)17-16/h1-4,10H,5-6,16H2,(H,17,18).
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide?
3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide has a molecular weight of 280.22 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide is sourced from PubChem (CID 950009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).