potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide

C18H17Cl2F6KO3 — CID 159787868

IUPACpotassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide
SMILESCC(=O)c1ccc(Cl)cc1.CC(O)(c1ccc(Cl)cc1)C(F)(F)F.FC(F)F.[K+].[OH-]
InChIInChI=1S/C9H8ClF3O.C8H7ClO.CHF3.K.H2O/c1-8(14,9(11,12)13)6-2-4-7(10)5-3-6;1-6(10)7-2-4-8(9)5-3-7;2-1(3)4;;/h2-5,14H,1H3;2-5H,1H3;1H;;1H2/q;;;+1;/p-1
InChIKeyNIELHLAXSJKIAA-UHFFFAOYSA-M
MW505.32 g/mol
LogP3.66
Rot. Bonds2

About potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide

potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide (PubChem CID 159787868) has the molecular formula C18H17Cl2F6KO3 and a molecular weight of 505.32 g/mol. Its IUPAC name is potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide.

Molecular Properties

Compound Namepotassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide
PubChem CID159787868
Molecular FormulaC18H17Cl2F6KO3
Molecular Weight505.32 g/mol
Exact Mass504.01
IUPAC Namepotassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide
SMILESCC(=O)c1ccc(Cl)cc1.CC(O)(c1ccc(Cl)cc1)C(F)(F)F.FC(F)F.[K+].[OH-]
InChIInChI=1S/C9H8ClF3O.C8H7ClO.CHF3.K.H2O/c1-8(14,9(11,12)13)6-2-4-7(10)5-3-6;1-6(10)7-2-4-8(9)5-3-7;2-1(3)4;;/h2-5,14H,1H3;2-5H,1H3;1H;;1H2/q;;;+1;/p-1
InChIKeyNIELHLAXSJKIAA-UHFFFAOYSA-M
XLogP3.66
TPSA67.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 15986765
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
CID 125488677
1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone
CID 84724573
N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 15986677
1-[4-(1,1-dihydroxyethyl)phenyl]ethanone
CID 143592266
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
ethane;1,1,1-trifluoro-2-(4-sulfanylphenyl)propan-2-ol
CID 171099400
1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone
CID 159128933
2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 154534897
1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
CID 11076394
1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol
CID 58813053

Frequently Asked Questions

What is the IUPAC name of potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide?
The IUPAC name of potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide (CID 159787868) is potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide.
What is the SMILES notation for potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide?
The canonical SMILES for potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide is CC(=O)c1ccc(Cl)cc1.CC(O)(c1ccc(Cl)cc1)C(F)(F)F.FC(F)F.[K+].[OH-].
What is the InChIKey of potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide?
The InChIKey is NIELHLAXSJKIAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8ClF3O.C8H7ClO.CHF3.K.H2O/c1-8(14,9(11,12)13)6-2-4-7(10)5-3-6;1-6(10)7-2-4-8(9)5-3-7;2-1(3)4;;/h2-5,14H,1H3;2-5H,1H3;1H;;1H2/q;;;+1;/p-1.
What are the key properties of potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide?
potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide has a molecular weight of 505.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide is sourced from PubChem (CID 159787868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).