2,4,5-trifluoro-3-methoxybenzoyl chloride

C8H4ClF3O2 — CID 2775281

IUPAC2,4,5-trifluoro-3-methoxybenzoyl chloride
SMILESCOc1c(F)c(F)cc(C(=O)Cl)c1F
InChIInChI=1S/C8H4ClF3O2/c1-14-7-5(11)3(8(9)13)2-4(10)6(7)12/h2H,1H3
InChIKeyJVQSZTJTWSUJCR-UHFFFAOYSA-N
MW224.56 g/mol
LogP2.49
Rot. Bonds2

About 2,4,5-trifluoro-3-methoxybenzoyl chloride

2,4,5-trifluoro-3-methoxybenzoyl chloride (PubChem CID 2775281) has the molecular formula C8H4ClF3O2 and a molecular weight of 224.56 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-methoxybenzoyl chloride.

Molecular Properties

Compound Name2,4,5-trifluoro-3-methoxybenzoyl chloride
PubChem CID2775281
Molecular FormulaC8H4ClF3O2
Molecular Weight224.56 g/mol
Exact Mass223.99
IUPAC Name2,4,5-trifluoro-3-methoxybenzoyl chloride
SMILESCOc1c(F)c(F)cc(C(=O)Cl)c1F
InChIInChI=1S/C8H4ClF3O2/c1-14-7-5(11)3(8(9)13)2-4(10)6(7)12/h2H,1H3
InChIKeyJVQSZTJTWSUJCR-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.56
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate
CID 153252588
(2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 141049303
2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
CID 102146515
CID 102146515
1-ethyl-2,4,5-trifluoro-3-methoxybenzene
CID 130384475
4-hydroxybut-2-ynyl 2,4,5-trifluoro-3-methoxybenzoate
CID 87347665
N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide
CID 91730460
triphenylstannyl 2,4,5-trifluoro-3-methoxybenzoate
CID 71425248
2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
CID 91730464
2,4,5-trifluoro-N-heptyl-3-methoxybenzamide
CID 91730409
2-hydroxyethyl 2,4,5-trifluoro-3-methoxybenzoate;methanesulfonic acid
CID 87347353

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-methoxybenzoyl chloride?
The IUPAC name of 2,4,5-trifluoro-3-methoxybenzoyl chloride (CID 2775281) is 2,4,5-trifluoro-3-methoxybenzoyl chloride.
What is the SMILES notation for 2,4,5-trifluoro-3-methoxybenzoyl chloride?
The canonical SMILES for 2,4,5-trifluoro-3-methoxybenzoyl chloride is COc1c(F)c(F)cc(C(=O)Cl)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-methoxybenzoyl chloride?
The InChIKey is JVQSZTJTWSUJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O2/c1-14-7-5(11)3(8(9)13)2-4(10)6(7)12/h2H,1H3.
What are the key properties of 2,4,5-trifluoro-3-methoxybenzoyl chloride?
2,4,5-trifluoro-3-methoxybenzoyl chloride has a molecular weight of 224.56 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-methoxybenzoyl chloride is sourced from PubChem (CID 2775281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).