N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide

C9H8F4N2O2 — CID 175226791

IUPACN-(1,1,2,2-tetrafluoroethoxy)benzohydrazide
SMILESNN(OC(F)(F)C(F)F)C(=O)c1ccccc1
InChIInChI=1S/C9H8F4N2O2/c10-8(11)9(12,13)17-15(14)7(16)6-4-2-1-3-5-6/h1-5,8H,14H2
InChIKeyCWOFCCMRUFWOPS-UHFFFAOYSA-N
MW252.17 g/mol
LogP1.79
Rot. Bonds4

About N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide

N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide (PubChem CID 175226791) has the molecular formula C9H8F4N2O2 and a molecular weight of 252.17 g/mol. Its IUPAC name is N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide.

Molecular Properties

Compound NameN-(1,1,2,2-tetrafluoroethoxy)benzohydrazide
PubChem CID175226791
Molecular FormulaC9H8F4N2O2
Molecular Weight252.17 g/mol
Exact Mass252.05
IUPAC NameN-(1,1,2,2-tetrafluoroethoxy)benzohydrazide
SMILESNN(OC(F)(F)C(F)F)C(=O)c1ccccc1
InChIInChI=1S/C9H8F4N2O2/c10-8(11)9(12,13)17-15(14)7(16)6-4-2-1-3-5-6/h1-5,8H,14H2
InChIKeyCWOFCCMRUFWOPS-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide
CID 160756565
N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 161381447
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
N-(3-methylbutan-2-yl)benzohydrazide
CID 174972153
methyl N-amino-N-benzoylcarbamate
CID 69339963
N,N'-dimethyl-N'-(trifluoromethyl)benzohydrazide
CID 174890331
dimethyl 2-[amino(benzoyl)amino]-2-hydroxypropanedioate
CID 22213779
N-methylsulfinyl-N-(trifluoromethyl)benzamide
CID 154019100
N-pyrimidin-2-ylbenzohydrazide
CID 140615438
N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide
CID 151979158
N-carbamimidoyl-N-fluorobenzamide
CID 140974582
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide?
The IUPAC name of N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide (CID 175226791) is N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide.
What is the SMILES notation for N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide?
The canonical SMILES for N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide is NN(OC(F)(F)C(F)F)C(=O)c1ccccc1.
What is the InChIKey of N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide?
The InChIKey is CWOFCCMRUFWOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O2/c10-8(11)9(12,13)17-15(14)7(16)6-4-2-1-3-5-6/h1-5,8H,14H2.
What are the key properties of N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide?
N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide has a molecular weight of 252.17 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide is sourced from PubChem (CID 175226791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).