4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide

C17H14F6N2O2 — CID 55489667

IUPAC4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C17H14F6N2O2/c18-16(19,20)10-27-9-11-4-6-12(7-5-11)15(26)25-24-14-3-1-2-13(8-14)17(21,22)23/h1-8,24H,9-10H2,(H,25,26)
InChIKeyFFEWBYPJCFYVGS-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.54
Rot. Bonds6

About 4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide

4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 55489667) has the molecular formula C17H14F6N2O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID55489667
Molecular FormulaC17H14F6N2O2
Molecular Weight392.30 g/mol
Exact Mass392.10
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C17H14F6N2O2/c18-16(19,20)10-27-9-11-4-6-12(7-5-11)15(26)25-24-14-3-1-2-13(8-14)17(21,22)23/h1-8,24H,9-10H2,(H,25,26)
InChIKeyFFEWBYPJCFYVGS-UHFFFAOYSA-N
XLogP4.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 30341698
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 55489256
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
(E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide
CID 55560499
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3925153

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide (CID 55489667) is 4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide is O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is FFEWBYPJCFYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O2/c18-16(19,20)10-27-9-11-4-6-12(7-5-11)15(26)25-24-14-3-1-2-13(8-14)17(21,22)23/h1-8,24H,9-10H2,(H,25,26).
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 392.30 g/mol, XLogP of 4.54, 6 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)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 55489667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).