3-hydroxy-2,6-bis(trifluoromethyl)benzamide

C9H5F6NO2 — CID 118997009

IUPAC3-hydroxy-2,6-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1c(C(F)(F)F)ccc(O)c1C(F)(F)F
InChIInChI=1S/C9H5F6NO2/c10-8(11,12)3-1-2-4(17)6(9(13,14)15)5(3)7(16)18/h1-2,17H,(H2,16,18)
InChIKeyILYRHGTWWXFKCA-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.53
Rot. Bonds1

About 3-hydroxy-2,6-bis(trifluoromethyl)benzamide

3-hydroxy-2,6-bis(trifluoromethyl)benzamide (PubChem CID 118997009) has the molecular formula C9H5F6NO2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-hydroxy-2,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2,6-bis(trifluoromethyl)benzamide
PubChem CID118997009
Molecular FormulaC9H5F6NO2
Molecular Weight273.13 g/mol
Exact Mass273.02
IUPAC Name3-hydroxy-2,6-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1c(C(F)(F)F)ccc(O)c1C(F)(F)F
InChIInChI=1S/C9H5F6NO2/c10-8(11,12)3-1-2-4(17)6(9(13,14)15)5(3)7(16)18/h1-2,17H,(H2,16,18)
InChIKeyILYRHGTWWXFKCA-UHFFFAOYSA-N
XLogP2.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529
2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 165153565
1-[3-hydroxy-2-iodo-6-(trifluoromethyl)phenyl]ethanone
CID 171025509
2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 542065
1-[3-hydroxy-6-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171025605
2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride
CID 134639153
ethyl 3-chloro-2,6-bis(trifluoromethyl)benzoate
CID 167314000
(E)-3-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]prop-2-enoic acid
CID 119000940
2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
CID 143639383
ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate
CID 134639188
3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
3-amino-4-(trifluoromethyl)benzamide
CID 70566293

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 3-hydroxy-2,6-bis(trifluoromethyl)benzamide (CID 118997009) is 3-hydroxy-2,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 3-hydroxy-2,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 3-hydroxy-2,6-bis(trifluoromethyl)benzamide is NC(=O)c1c(C(F)(F)F)ccc(O)c1C(F)(F)F.
What is the InChIKey of 3-hydroxy-2,6-bis(trifluoromethyl)benzamide?
The InChIKey is ILYRHGTWWXFKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO2/c10-8(11,12)3-1-2-4(17)6(9(13,14)15)5(3)7(16)18/h1-2,17H,(H2,16,18).
What are the key properties of 3-hydroxy-2,6-bis(trifluoromethyl)benzamide?
3-hydroxy-2,6-bis(trifluoromethyl)benzamide has a molecular weight of 273.13 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 118997009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).