CAS 339-59-3|4-(trifluoromethyl)benzohydrazide|4-(trifluoromethyl)benzohydrazide|4-(Trifluoromethyl)benzohydrazide|4-(Trifluoromethyl)benzohydrazide|4-(trifluoromethyl)benzene-1-carbohydrazide|4-(Tr...

General Information

Structure

Molecular Formula

C₈H₇F₃N₂O

Molecular Mass

204.1491896

Exact Mass

204.05104751

Charge

InChI

InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(14)13-12/h1-4H,12H2,(H,13,14)

InChIKey

GKBDXTNCBPZMFX-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)c1ccc(cc1)C(F)(F)F

Isomeric Smiles

N(C(=O)c1ccc(cc1)C(F)(F)F)N

Calculated Properties

JChem

Acid pKa

14.18651

H Acceptors

H Donor

LogD (pH = 5.5)

1.40438

LogD (pH = 7.4)

1.4052478

Log P

1.4052589

Molar Refractivity

45.5942

Polarizability

15.8867445

Polar Surface Area

55.12

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-(trifluoromethyl)benzohydrazide

IUPAC name

4-(trifluoromethyl)benzohydrazide

Synonyms

4-(Trifluoromethyl)benzohydrazide4-(Trifluoromethyl)benzohydrazide4-(trifluoromethyl)benzene-1-carbohydrazide4-(Trifluoromethyl)benzoic acid hydrazide 95%4-(三氟甲基)苯甲酰肼4-(Trifluoromethyl)benzhydrazide4-(TRIFLUOROMETHYL)BENZHYDRAZIDEα,α,α-三氟对甲苯甲酰肼alpha,alpha,alpha-Trifluoro-p-toluic acid hydrazideα,α,α-Trifluoro-p-toluic acid hydrazide

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Beilstein Number