2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide

C9H6F5NO — CID 173135355

IUPAC2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide
SMILESNC(=O)c1c(F)ccc(CC(F)(F)F)c1F
InChIInChI=1S/C9H6F5NO/c10-5-2-1-4(3-9(12,13)14)7(11)6(5)8(15)16/h1-2H,3H2,(H2,15,16)
InChIKeyAWOXKFIDQPCBSE-UHFFFAOYSA-N
MW239.14 g/mol
LogP2.17
Rot. Bonds2

About 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide

2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide (PubChem CID 173135355) has the molecular formula C9H6F5NO and a molecular weight of 239.14 g/mol. Its IUPAC name is 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide
PubChem CID173135355
Molecular FormulaC9H6F5NO
Molecular Weight239.14 g/mol
Exact Mass239.04
IUPAC Name2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide
SMILESNC(=O)c1c(F)ccc(CC(F)(F)F)c1F
InChIInChI=1S/C9H6F5NO/c10-5-2-1-4(3-9(12,13)14)7(11)6(5)8(15)16/h1-2H,3H2,(H2,15,16)
InChIKeyAWOXKFIDQPCBSE-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide (CID 173135355) is 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide is NC(=O)c1c(F)ccc(CC(F)(F)F)c1F.
What is the InChIKey of 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AWOXKFIDQPCBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO/c10-5-2-1-4(3-9(12,13)14)7(11)6(5)8(15)16/h1-2H,3H2,(H2,15,16).
What are the key properties of 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide?
2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 239.14 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 173135355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).