Compound C9H6Cl4F8O3

1,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-2,6-dihydroxyheptan-4-one

CAS: 101913-79-5

Molecular Formula	`C9H6Cl4F8O3`
Molecular Weight	455.9 g/mol
LogP	3.7
Topological Polar Surface Area	57.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	455.8914
Heavy Atoms	24
Complexity	431.0

Chemical Identifiers

CAS Number	101913-79-5
SMILES	`C(C(=O)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O`
InChIKey	`FKYJZNQRMGYNOF-UHFFFAOYSA-N`

📖 Product Overview

Compound C9H6Cl4F8O3 (CAS: 101913-79-5) is a chemical compound with molecular formula C9H6Cl4F8O3 and molecular weight 455.9 g/mol. Its IUPAC systematic name is 1,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-2,6-dihydroxyheptan-4-one. LogP 3.7 Topological Polar Surface Area 57.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 11 Rotatable Bonds 8 Exact Mass 455.8914 Heavy Atoms 24 Complexity 431.0 InChI Key: FKYJZNQRMGYNOF-UHFFFAOYSA-N. SMILES: C(C(=O)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O.

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