4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride

C14Cl2F8O4S — CID 102147579

IUPAC4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(S(=O)(=O)c2c(F)c(F)c(C(=O)Cl)c(F)c2F)c(F)c1F
InChIInChI=1S/C14Cl2F8O4S/c15-13(25)1-3(17)7(21)11(8(22)4(1)18)29(27,28)12-9(23)5(19)2(14(16)26)6(20)10(12)24
InChIKeyREKVCXFHVOXCKM-UHFFFAOYSA-N
MW487.11 g/mol
LogP4.39
Rot. Bonds4

About 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride

4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride (PubChem CID 102147579) has the molecular formula C14Cl2F8O4S and a molecular weight of 487.11 g/mol. Its IUPAC name is 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride.

Molecular Properties

Compound Name4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride
PubChem CID102147579
Molecular FormulaC14Cl2F8O4S
Molecular Weight487.11 g/mol
Exact Mass485.88
IUPAC Name4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(S(=O)(=O)c2c(F)c(F)c(C(=O)Cl)c(F)c2F)c(F)c1F
InChIInChI=1S/C14Cl2F8O4S/c15-13(25)1-3(17)7(21)11(8(22)4(1)18)29(27,28)12-9(23)5(19)2(14(16)26)6(20)10(12)24
InChIKeyREKVCXFHVOXCKM-UHFFFAOYSA-N
XLogP4.39
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.11
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 134617411
2,6-difluoro-3,4,5-tris(trifluoromethyl)benzoyl chloride
CID 141293558
2,3,4,5-tetrafluoro-6-methylsulfonylbenzoic acid
CID 169100072
2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride
CID 14235017
2,3,4,5,6-pentafluorobenzenesulfonyl fluoride
CID 11807055
2,2-dichloro-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 146007729
chloro 4-benzoyl-2,3,5,6-tetrafluorobenzenesulfonate;ethane;sulfane
CID 158257882
6-chloro-2,3-difluorobenzoyl chloride
CID 50998364
2-chloro-3,4,6-trifluoro-5-methylbenzoyl chloride
CID 10776597
hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)
CID 140537152
azanium 2,3,4,5,6-pentafluorobenzenesulfonate
CID 139512990

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride?
The IUPAC name of 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride (CID 102147579) is 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride.
What is the SMILES notation for 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride?
The canonical SMILES for 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride is O=C(Cl)c1c(F)c(F)c(S(=O)(=O)c2c(F)c(F)c(C(=O)Cl)c(F)c2F)c(F)c1F.
What is the InChIKey of 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride?
The InChIKey is REKVCXFHVOXCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14Cl2F8O4S/c15-13(25)1-3(17)7(21)11(8(22)4(1)18)29(27,28)12-9(23)5(19)2(14(16)26)6(20)10(12)24.
What are the key properties of 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride?
4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride has a molecular weight of 487.11 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride is sourced from PubChem (CID 102147579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).