1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one

C16H10ClF5O2 — CID 71505978

IUPAC1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(F)(F)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10ClF5O2/c17-12-8-6-10(7-9-12)13(23)15(18,19)14(24,16(20,21)22)11-4-2-1-3-5-11/h1-9,24H
InChIKeyZRMYXTLCEHSZLD-UHFFFAOYSA-N
MW364.70 g/mol
LogP4.61
Rot. Bonds4

About 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one

1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one (PubChem CID 71505978) has the molecular formula C16H10ClF5O2 and a molecular weight of 364.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one
PubChem CID71505978
Molecular FormulaC16H10ClF5O2
Molecular Weight364.70 g/mol
Exact Mass364.03
IUPAC Name1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(F)(F)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10ClF5O2/c17-12-8-6-10(7-9-12)13(23)15(18,19)14(24,16(20,21)22)11-4-2-1-3-5-11/h1-9,24H
InChIKeyZRMYXTLCEHSZLD-UHFFFAOYSA-N
XLogP4.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4'-Chloro-[1,1'-biphenyl]-2-carboxylic acid
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4-Chlorobenzoin
CID 13548305
2-(4-(4-Chlorophenyl)Cyclohexylidene)-3,4-Dihydroxy-1(2h)-Naphthalenone
CID 135509075
2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione
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CID 2757572

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one (CID 71505978) is 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one is O=C(c1ccc(Cl)cc1)C(F)(F)C(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one?
The InChIKey is ZRMYXTLCEHSZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF5O2/c17-12-8-6-10(7-9-12)13(23)15(18,19)14(24,16(20,21)22)11-4-2-1-3-5-11/h1-9,24H.
What are the key properties of 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one?
1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one has a molecular weight of 364.70 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one is sourced from PubChem (CID 71505978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).