1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone

C11H7ClF6O2 — CID 102722486

IUPAC1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
SMILESO=C(COC(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClF6O2/c12-7-3-1-6(2-4-7)8(19)5-20-9(10(13,14)15)11(16,17)18/h1-4,9H,5H2
InChIKeyZPEZKCWUAODYDC-UHFFFAOYSA-N
MW320.62 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone

1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone (PubChem CID 102722486) has the molecular formula C11H7ClF6O2 and a molecular weight of 320.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
PubChem CID102722486
Molecular FormulaC11H7ClF6O2
Molecular Weight320.62 g/mol
Exact Mass320.00
IUPAC Name1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
SMILESO=C(COC(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClF6O2/c12-7-3-1-6(2-4-7)8(19)5-20-9(10(13,14)15)11(16,17)18/h1-4,9H,5H2
InChIKeyZPEZKCWUAODYDC-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone
CID 102722519
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
CID 61328747
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone
CID 22960642
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
2-(4-chlorobenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 129070567
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23904314
[2-(4-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 71560088
1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448325
bis[2-(4-chlorophenyl)-2-oxoethyl] (1S,2S)-cyclohex-4-ene-1,2-dicarboxylate
CID 1217354

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone (CID 102722486) is 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone is O=C(COC(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone?
The InChIKey is ZPEZKCWUAODYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF6O2/c12-7-3-1-6(2-4-7)8(19)5-20-9(10(13,14)15)11(16,17)18/h1-4,9H,5H2.
What are the key properties of 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone?
1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone has a molecular weight of 320.62 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone is sourced from PubChem (CID 102722486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).