2,4,5-trifluoro-3-(fluoromethoxy)benzamide

C8H5F4NO2 — CID 86588500

IUPAC2,4,5-trifluoro-3-(fluoromethoxy)benzamide
SMILESNC(=O)c1cc(F)c(F)c(OCF)c1F
InChIInChI=1S/C8H5F4NO2/c9-2-15-7-5(11)3(8(13)14)1-4(10)6(7)12/h1H,2H2,(H2,13,14)
InChIKeyJHRFRLRVZKOTFA-UHFFFAOYSA-N
MW223.12 g/mol
LogP1.51
Rot. Bonds3

About 2,4,5-trifluoro-3-(fluoromethoxy)benzamide

2,4,5-trifluoro-3-(fluoromethoxy)benzamide (PubChem CID 86588500) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-(fluoromethoxy)benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-(fluoromethoxy)benzamide
PubChem CID86588500
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name2,4,5-trifluoro-3-(fluoromethoxy)benzamide
SMILESNC(=O)c1cc(F)c(F)c(OCF)c1F
InChIInChI=1S/C8H5F4NO2/c9-2-15-7-5(11)3(8(13)14)1-4(10)6(7)12/h1H,2H2,(H2,13,14)
InChIKeyJHRFRLRVZKOTFA-UHFFFAOYSA-N
XLogP1.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-(fluoromethoxy)benzamide?
The IUPAC name of 2,4,5-trifluoro-3-(fluoromethoxy)benzamide (CID 86588500) is 2,4,5-trifluoro-3-(fluoromethoxy)benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-(fluoromethoxy)benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-(fluoromethoxy)benzamide is NC(=O)c1cc(F)c(F)c(OCF)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-(fluoromethoxy)benzamide?
The InChIKey is JHRFRLRVZKOTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c9-2-15-7-5(11)3(8(13)14)1-4(10)6(7)12/h1H,2H2,(H2,13,14).
What are the key properties of 2,4,5-trifluoro-3-(fluoromethoxy)benzamide?
2,4,5-trifluoro-3-(fluoromethoxy)benzamide has a molecular weight of 223.12 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-(fluoromethoxy)benzamide is sourced from PubChem (CID 86588500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).