Compound C16H14F12O4

4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol

CAS: 100991-88-6

Molecular Formula	`C16H14F12O4`
Molecular Weight	498.26 g/mol
LogP	3.8
Topological Polar Surface Area	80.9 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	16
Rotatable Bonds	6
Exact Mass	498.07004
Heavy Atoms	32
Complexity	534.0

Chemical Identifiers

CAS Number	100991-88-6
SMILES	`C1=CC(=CC=C1C(CC(C(F)(F)F)(C(F)(F)F)O)O)C(CC(C(F)(F)F)(C(F)(F)F)O)O`
InChIKey	`SUQZIKNKPDXXJX-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H14F12O4 (CAS: 100991-88-6) is a chemical compound with molecular formula C16H14F12O4 and molecular weight 498.26 g/mol. Its IUPAC systematic name is 4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol. LogP 3.8 Topological Polar Surface Area 80.9 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 16 Rotatable Bonds 6 Exact Mass 498.07004 Heavy Atoms 32 Complexity 534.0 InChI Key: SUQZIKNKPDXXJX-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(CC(C(F)(F)F)(C(F)(F)F)O)O)C(CC(C(F)(F)F)(C(F)(F)F)O)O.

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