Compound C11H9ClF12O3

3-(2-chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one

CAS: 101913-82-0

Molecular Formula	`C11H9ClF12O3`
Molecular Weight	452.62 g/mol
LogP	3.7
Topological Polar Surface Area	57.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	15
Rotatable Bonds	6
Exact Mass	452.00485
Heavy Atoms	27
Complexity	505.0

Chemical Identifiers

CAS Number	101913-82-0
SMILES	`C(CCl)C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O`
InChIKey	`KCSCCVGBCPYEOH-UHFFFAOYSA-N`

📖 Product Overview

Compound C11H9ClF12O3 (CAS: 101913-82-0) is a chemical compound with molecular formula C11H9ClF12O3 and molecular weight 452.62 g/mol. Its IUPAC systematic name is 3-(2-chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one. LogP 3.7 Topological Polar Surface Area 57.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 15 Rotatable Bonds 6 Exact Mass 452.00485 Heavy Atoms 27 Complexity 505.0 InChI Key: KCSCCVGBCPYEOH-UHFFFAOYSA-N. SMILES: C(CCl)C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O.

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