N'-tert-butyl-4-(trifluoromethyl)benzohydrazide

C12H15F3N2O — CID 141237629

IUPACN'-tert-butyl-4-(trifluoromethyl)benzohydrazide
SMILESCC(C)(C)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-11(2,3)17-16-10(18)8-4-6-9(7-5-8)12(13,14)15/h4-7,17H,1-3H3,(H,16,18)
InChIKeyXDFFJXVKZIVMTL-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.74
Rot. Bonds2

About N'-tert-butyl-4-(trifluoromethyl)benzohydrazide

N'-tert-butyl-4-(trifluoromethyl)benzohydrazide (PubChem CID 141237629) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N'-tert-butyl-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-4-(trifluoromethyl)benzohydrazide
PubChem CID141237629
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN'-tert-butyl-4-(trifluoromethyl)benzohydrazide
SMILESCC(C)(C)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-11(2,3)17-16-10(18)8-4-6-9(7-5-8)12(13,14)15/h4-7,17H,1-3H3,(H,16,18)
InChIKeyXDFFJXVKZIVMTL-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-4-fluorobenzohydrazide
CID 15617766
tert-butyl N-[[4-(trifluoromethyl)benzoyl]amino]carbamate
CID 11449558
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
methyl (3S)-3-methyl-4-phenyl-3-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanoate
CID 135065587
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 35932014
4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]but-2-enoic acid
CID 123154414
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide
CID 4665979
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-tert-butyl-4-(trifluoromethyl)benzohydrazide (CID 141237629) is N'-tert-butyl-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-tert-butyl-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-tert-butyl-4-(trifluoromethyl)benzohydrazide is CC(C)(C)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-tert-butyl-4-(trifluoromethyl)benzohydrazide?
The InChIKey is XDFFJXVKZIVMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-11(2,3)17-16-10(18)8-4-6-9(7-5-8)12(13,14)15/h4-7,17H,1-3H3,(H,16,18).
What are the key properties of N'-tert-butyl-4-(trifluoromethyl)benzohydrazide?
N'-tert-butyl-4-(trifluoromethyl)benzohydrazide has a molecular weight of 260.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 141237629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).