4-chloro-3-(trifluoromethoxy)benzoyl fluoride

C8H3ClF4O2 — CID 14461276

IUPAC4-chloro-3-(trifluoromethoxy)benzoyl fluoride
SMILESO=C(F)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C8H3ClF4O2/c9-5-2-1-4(7(10)14)3-6(5)15-8(11,12)13/h1-3H
InChIKeyRHIIAUHPSCUUOS-UHFFFAOYSA-N
MW242.56 g/mol
LogP3.35
Rot. Bonds2

About 4-chloro-3-(trifluoromethoxy)benzoyl fluoride

4-chloro-3-(trifluoromethoxy)benzoyl fluoride (PubChem CID 14461276) has the molecular formula C8H3ClF4O2 and a molecular weight of 242.56 g/mol. Its IUPAC name is 4-chloro-3-(trifluoromethoxy)benzoyl fluoride.

Molecular Properties

Compound Name4-chloro-3-(trifluoromethoxy)benzoyl fluoride
PubChem CID14461276
Molecular FormulaC8H3ClF4O2
Molecular Weight242.56 g/mol
Exact Mass241.98
IUPAC Name4-chloro-3-(trifluoromethoxy)benzoyl fluoride
SMILESO=C(F)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C8H3ClF4O2/c9-5-2-1-4(7(10)14)3-6(5)15-8(11,12)13/h1-3H
InChIKeyRHIIAUHPSCUUOS-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.56
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(trifluoromethoxy)benzoyl fluoride?
The IUPAC name of 4-chloro-3-(trifluoromethoxy)benzoyl fluoride (CID 14461276) is 4-chloro-3-(trifluoromethoxy)benzoyl fluoride.
What is the SMILES notation for 4-chloro-3-(trifluoromethoxy)benzoyl fluoride?
The canonical SMILES for 4-chloro-3-(trifluoromethoxy)benzoyl fluoride is O=C(F)c1ccc(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of 4-chloro-3-(trifluoromethoxy)benzoyl fluoride?
The InChIKey is RHIIAUHPSCUUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF4O2/c9-5-2-1-4(7(10)14)3-6(5)15-8(11,12)13/h1-3H.
What are the key properties of 4-chloro-3-(trifluoromethoxy)benzoyl fluoride?
4-chloro-3-(trifluoromethoxy)benzoyl fluoride has a molecular weight of 242.56 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(trifluoromethoxy)benzoyl fluoride is sourced from PubChem (CID 14461276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).