3-(difluoromethoxy)-5-(trifluoromethyl)benzamide

C9H6F5NO2 — CID 175797774

IUPAC3-(difluoromethoxy)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(OC(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F5NO2/c10-8(11)17-6-2-4(7(15)16)1-5(3-6)9(12,13)14/h1-3,8H,(H2,15,16)
InChIKeyCACRGGTWIUWRHH-UHFFFAOYSA-N
MW255.14 g/mol
LogP2.41
Rot. Bonds3

About 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide

3-(difluoromethoxy)-5-(trifluoromethyl)benzamide (PubChem CID 175797774) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-(trifluoromethyl)benzamide
PubChem CID175797774
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name3-(difluoromethoxy)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(OC(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F5NO2/c10-8(11)17-6-2-4(7(15)16)1-5(3-6)9(12,13)14/h1-3,8H,(H2,15,16)
InChIKeyCACRGGTWIUWRHH-UHFFFAOYSA-N
XLogP2.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide (CID 175797774) is 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide is NC(=O)c1cc(OC(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is CACRGGTWIUWRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO2/c10-8(11)17-6-2-4(7(15)16)1-5(3-6)9(12,13)14/h1-3,8H,(H2,15,16).
What are the key properties of 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide?
3-(difluoromethoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 255.14 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 175797774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).