2-ethyl-4-(trifluoromethoxy)benzamide

C10H10F3NO2 — CID 141054178

IUPAC2-ethyl-4-(trifluoromethoxy)benzamide
SMILESCCc1cc(OC(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H10F3NO2/c1-2-6-5-7(16-10(11,12)13)3-4-8(6)9(14)15/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyXSVWFRKCLIJUHK-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.25
Rot. Bonds3

About 2-ethyl-4-(trifluoromethoxy)benzamide

2-ethyl-4-(trifluoromethoxy)benzamide (PubChem CID 141054178) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-ethyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-ethyl-4-(trifluoromethoxy)benzamide
PubChem CID141054178
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-ethyl-4-(trifluoromethoxy)benzamide
SMILESCCc1cc(OC(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H10F3NO2/c1-2-6-5-7(16-10(11,12)13)3-4-8(6)9(14)15/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyXSVWFRKCLIJUHK-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-5-(trifluoromethoxy)benzamide
CID 170997994
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
CID 170998693
1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one
CID 134620299
N-(diaminomethylidene)-2-ethyl-5-(trifluoromethoxy)benzamide;methyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 18925655
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-ethyl-4-(trifluoromethoxy)benzamide (CID 141054178) is 2-ethyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-ethyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-ethyl-4-(trifluoromethoxy)benzamide is CCc1cc(OC(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-ethyl-4-(trifluoromethoxy)benzamide?
The InChIKey is XSVWFRKCLIJUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-2-6-5-7(16-10(11,12)13)3-4-8(6)9(14)15/h3-5H,2H2,1H3,(H2,14,15).
What are the key properties of 2-ethyl-4-(trifluoromethoxy)benzamide?
2-ethyl-4-(trifluoromethoxy)benzamide has a molecular weight of 233.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 141054178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).