4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide

C9H5F6NO2 — CID 170999511

IUPAC4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H5F6NO2/c10-8(11,12)5-3-4(7(16)17)1-2-6(5)18-9(13,14)15/h1-3H,(H2,16,17)
InChIKeyZKDYFXXVLNXZCC-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.70
Rot. Bonds2

About 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide

4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide (PubChem CID 170999511) has the molecular formula C9H5F6NO2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
PubChem CID170999511
Molecular FormulaC9H5F6NO2
Molecular Weight273.13 g/mol
Exact Mass273.02
IUPAC Name4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H5F6NO2/c10-8(11,12)5-3-4(7(16)17)1-2-6(5)18-9(13,14)15/h1-3H,(H2,16,17)
InChIKeyZKDYFXXVLNXZCC-UHFFFAOYSA-N
XLogP2.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-formyl-4-(trifluoromethoxy)benzamide
CID 170998150
3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
3-thionitroso-4-(trifluoromethoxy)benzamide
CID 89256304
2-[4-carbamoyl-2-(trifluoromethyl)phenoxy]butanoic acid
CID 115467582
3-amino-4-(trifluoromethyl)benzamide
CID 70566293
4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide
CID 115468230
4-[(3-bromo-4-pyridinyl)oxy]-3-(trifluoromethyl)benzamide
CID 104778965
4-cyano-3-(trifluoromethyl)benzamide
CID 22284887
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide (CID 170999511) is 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(OC(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide?
The InChIKey is ZKDYFXXVLNXZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO2/c10-8(11,12)5-3-4(7(16)17)1-2-6(5)18-9(13,14)15/h1-3H,(H2,16,17).
What are the key properties of 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide?
4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide has a molecular weight of 273.13 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 170999511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).