3-formyl-4-(trifluoromethoxy)benzamide

C9H6F3NO3 — CID 170998150

IUPAC3-formyl-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)c(C=O)c1
InChIInChI=1S/C9H6F3NO3/c10-9(11,12)16-7-2-1-5(8(13)15)3-6(7)4-14/h1-4H,(H2,13,15)
InChIKeyMZFGQQDZAQFNMM-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.50
Rot. Bonds3

About 3-formyl-4-(trifluoromethoxy)benzamide

3-formyl-4-(trifluoromethoxy)benzamide (PubChem CID 170998150) has the molecular formula C9H6F3NO3 and a molecular weight of 233.15 g/mol. Its IUPAC name is 3-formyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-formyl-4-(trifluoromethoxy)benzamide
PubChem CID170998150
Molecular FormulaC9H6F3NO3
Molecular Weight233.15 g/mol
Exact Mass233.03
IUPAC Name3-formyl-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)c(C=O)c1
InChIInChI=1S/C9H6F3NO3/c10-9(11,12)16-7-2-1-5(8(13)15)3-6(7)4-14/h1-4H,(H2,13,15)
InChIKeyMZFGQQDZAQFNMM-UHFFFAOYSA-N
XLogP1.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-formyl-4-(trifluoromethoxy)benzamide (CID 170998150) is 3-formyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-formyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-formyl-4-(trifluoromethoxy)benzamide is NC(=O)c1ccc(OC(F)(F)F)c(C=O)c1.
What is the InChIKey of 3-formyl-4-(trifluoromethoxy)benzamide?
The InChIKey is MZFGQQDZAQFNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO3/c10-9(11,12)16-7-2-1-5(8(13)15)3-6(7)4-14/h1-4H,(H2,13,15).
What are the key properties of 3-formyl-4-(trifluoromethoxy)benzamide?
3-formyl-4-(trifluoromethoxy)benzamide has a molecular weight of 233.15 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 170998150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).