2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride

C8ClF7O — CID 15134995

IUPAC2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C8ClF7O/c9-7(17)1-3(10)2(8(14,15)16)5(12)6(13)4(1)11
InChIKeyUTWILLUNHZJDLN-UHFFFAOYSA-N
MW280.53 g/mol
LogP3.64
Rot. Bonds1

About 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride

2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride (PubChem CID 15134995) has the molecular formula C8ClF7O and a molecular weight of 280.53 g/mol. Its IUPAC name is 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride
PubChem CID15134995
Molecular FormulaC8ClF7O
Molecular Weight280.53 g/mol
Exact Mass279.95
IUPAC Name2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C8ClF7O/c9-7(17)1-3(10)2(8(14,15)16)5(12)6(13)4(1)11
InChIKeyUTWILLUNHZJDLN-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride (CID 15134995) is 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1c(F)c(F)c(F)c(C(F)(F)F)c1F.
What is the InChIKey of 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride?
The InChIKey is UTWILLUNHZJDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8ClF7O/c9-7(17)1-3(10)2(8(14,15)16)5(12)6(13)4(1)11.
What are the key properties of 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride?
2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride has a molecular weight of 280.53 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 15134995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).