2,3,4-trifluorobenzenecarboperoxoic acid

C7H3F3O3 — CID 87231779

IUPAC2,3,4-trifluorobenzenecarboperoxoic acid
SMILESO=C(OO)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H3F3O3/c8-4-2-1-3(7(11)13-12)5(9)6(4)10/h1-2,12H
InChIKeyRPNPBQOZJYOMDH-UHFFFAOYSA-N
MW192.09 g/mol
LogP1.73
Rot. Bonds1

About 2,3,4-trifluorobenzenecarboperoxoic acid

2,3,4-trifluorobenzenecarboperoxoic acid (PubChem CID 87231779) has the molecular formula C7H3F3O3 and a molecular weight of 192.09 g/mol. Its IUPAC name is 2,3,4-trifluorobenzenecarboperoxoic acid.

Molecular Properties

Compound Name2,3,4-trifluorobenzenecarboperoxoic acid
PubChem CID87231779
Molecular FormulaC7H3F3O3
Molecular Weight192.09 g/mol
Exact Mass192.00
IUPAC Name2,3,4-trifluorobenzenecarboperoxoic acid
SMILESO=C(OO)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H3F3O3/c8-4-2-1-3(7(11)13-12)5(9)6(4)10/h1-2,12H
InChIKeyRPNPBQOZJYOMDH-UHFFFAOYSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate
CID 90170337
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
N,2,3,4-tetrafluorobenzamide
CID 91055455
1-(2,3,4-trifluorophenyl)prop-2-yn-1-one
CID 114978534
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid
CID 53425745
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
CID 114971637
2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116594142
1-(2,3,4-trifluorophenyl)pent-4-yn-1-one
CID 114972807
benzamide;2,3,4-trifluorobenzoic acid
CID 158159463

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluorobenzenecarboperoxoic acid?
The IUPAC name of 2,3,4-trifluorobenzenecarboperoxoic acid (CID 87231779) is 2,3,4-trifluorobenzenecarboperoxoic acid.
What is the SMILES notation for 2,3,4-trifluorobenzenecarboperoxoic acid?
The canonical SMILES for 2,3,4-trifluorobenzenecarboperoxoic acid is O=C(OO)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluorobenzenecarboperoxoic acid?
The InChIKey is RPNPBQOZJYOMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3O3/c8-4-2-1-3(7(11)13-12)5(9)6(4)10/h1-2,12H.
What are the key properties of 2,3,4-trifluorobenzenecarboperoxoic acid?
2,3,4-trifluorobenzenecarboperoxoic acid has a molecular weight of 192.09 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluorobenzenecarboperoxoic acid is sourced from PubChem (CID 87231779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).