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

C13ClF9O — CID 134617411

IUPAC2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C13ClF9O/c14-13(24)3-8(19)4(15)1(5(16)9(3)20)2-6(17)10(21)12(23)11(22)7(2)18
InChIKeyUOPKQVDMDSQTDT-UHFFFAOYSA-N
MW378.58 g/mol
LogP4.98
Rot. Bonds2

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

2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride (PubChem CID 134617411) has the molecular formula C13ClF9O and a molecular weight of 378.58 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
PubChem CID134617411
Molecular FormulaC13ClF9O
Molecular Weight378.58 g/mol
Exact Mass377.95
IUPAC Name2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C13ClF9O/c14-13(24)3-8(19)4(15)1(5(16)9(3)20)2-6(17)10(21)12(23)11(22)7(2)18
InChIKeyUOPKQVDMDSQTDT-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 54.98
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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Related Compounds

2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629
2,6-difluoro-3,4,5-tris(trifluoromethyl)benzoyl chloride
CID 141293558
4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride
CID 102147579
2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride
CID 14235017
2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene
CID 54510849
2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 45090416
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497144
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453
2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 87415927
2,2-dichloro-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 146007729
N,N-dichloro-2,3,4,5,6-pentafluorobenzamide
CID 12568720

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride (CID 134617411) is 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride is O=C(Cl)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride?
The InChIKey is UOPKQVDMDSQTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13ClF9O/c14-13(24)3-8(19)4(15)1(5(16)9(3)20)2-6(17)10(21)12(23)11(22)7(2)18.
What are the key properties of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride?
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride has a molecular weight of 378.58 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride is sourced from PubChem (CID 134617411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).