2,6-bis(trifluoromethyl)benzamide

C9H5F6NO — CID 704342

IUPAC2,6-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C9H5F6NO/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H2,16,17)
InChIKeyISZYCEXDHGPJKJ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.82
Rot. Bonds1

About 2,6-bis(trifluoromethyl)benzamide

2,6-bis(trifluoromethyl)benzamide (PubChem CID 704342) has the molecular formula C9H5F6NO and a molecular weight of 257.13 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)benzamide
PubChem CID704342
Molecular FormulaC9H5F6NO
Molecular Weight257.13 g/mol
Exact Mass257.03
IUPAC Name2,6-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C9H5F6NO/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H2,16,17)
InChIKeyISZYCEXDHGPJKJ-UHFFFAOYSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 2,6-bis(trifluoromethyl)benzamide (CID 704342) is 2,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2,6-bis(trifluoromethyl)benzamide is NC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of 2,6-bis(trifluoromethyl)benzamide?
The InChIKey is ISZYCEXDHGPJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H2,16,17).
What are the key properties of 2,6-bis(trifluoromethyl)benzamide?
2,6-bis(trifluoromethyl)benzamide has a molecular weight of 257.13 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 704342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).