4-(2,2,2-trifluoroethoxymethyl)benzohydrazide

C10H11F3N2O2 — CID 3611837

IUPAC4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-5-7-1-3-8(4-2-7)9(16)15-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyPWXVJVTYJJENEC-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.37
Rot. Bonds4

About 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide

4-(2,2,2-trifluoroethoxymethyl)benzohydrazide (PubChem CID 3611837) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
PubChem CID3611837
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-5-7-1-3-8(4-2-7)9(16)15-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyPWXVJVTYJJENEC-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.37
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'}

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Related Compounds

Methyl 4-(hydrazinecarbonyl)benzoate
CID 596004
4-[(2,2,3,3-Tetrafluoropropoxy)methyl]benzohydrazide
CID 844060
3-[(2,2,3,3-Tetrafluoropropoxy)methyl]benzohydrazide
CID 950009
4-(Hydrazinocarbonyl)benzoic acid
CID 279437
Ethyl 4-{[2-(3-cyclohexen-1-ylcarbonyl)hydrazino]carbonyl}benzoate
CID 11835257
Methyl 4-(hydrazinecarbonyl)benzoate hydrochloride
CID 130405979
Ethyl (4-hydrazinocarbonyl)benzoate
CID 13351511
Ethyl 4-carbamoylbenzoate
CID 11194872
1,4-Benzenedicarboxylic acid, 1-methyl ester, 4-[2-[4-(methoxycarbonyl)benzoyl]hydrazide]
CID 90330
(4-Carbamoylphenyl)methyl 2,6-difluorobenzoate
CID 27313401
Cyanomethyl 4-carbamoylbenzoate
CID 30799776
[(2S)-1,1,1-trifluoropropan-2-yl] 4-carbamoylbenzoate
CID 97585536

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide (CID 3611837) is 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide is NNC(=O)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The InChIKey is PWXVJVTYJJENEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-5-7-1-3-8(4-2-7)9(16)15-14/h1-4H,5-6,14H2,(H,15,16).
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
4-(2,2,2-trifluoroethoxymethyl)benzohydrazide has a molecular weight of 248.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)benzohydrazide is sourced from PubChem (CID 3611837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).