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

C8F8O — CID 15134993

IUPAC2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride
SMILESO=C(F)c1c(F)c(F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C8F8O/c9-3-1(7(13)17)4(10)6(12)5(11)2(3)8(14,15)16
InChIKeyBHGAKQJYJNSMDE-UHFFFAOYSA-N
MW264.07 g/mol
LogP3.37
Rot. Bonds1

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

2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride (PubChem CID 15134993) has the molecular formula C8F8O and a molecular weight of 264.07 g/mol. Its IUPAC name is 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride.

Molecular Properties

Compound Name2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride
PubChem CID15134993
Molecular FormulaC8F8O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride
SMILESO=C(F)c1c(F)c(F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C8F8O/c9-3-1(7(13)17)4(10)6(12)5(11)2(3)8(14,15)16
InChIKeyBHGAKQJYJNSMDE-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 53.37
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 fluoride?
The IUPAC name of 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride (CID 15134993) is 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride.
What is the SMILES notation for 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride?
The canonical SMILES for 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride is O=C(F)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 fluoride?
The InChIKey is BHGAKQJYJNSMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F8O/c9-3-1(7(13)17)4(10)6(12)5(11)2(3)8(14,15)16.
What are the key properties of 2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride?
2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzoyl fluoride has a molecular weight of 264.07 g/mol, XLogP of 3.37, 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 fluoride is sourced from PubChem (CID 15134993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).