5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one

C18H14ClF5O2 — CID 71506172

IUPAC5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one
SMILESO=C(CCc1ccccc1)C(F)(F)C(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C18H14ClF5O2/c19-14-9-7-13(8-10-14)16(26,18(22,23)24)17(20,21)15(25)11-6-12-4-2-1-3-5-12/h1-5,7-10,26H,6,11H2
InChIKeyUIZBUHICMKTSGC-UHFFFAOYSA-N
MW392.75 g/mol
LogP4.93
Rot. Bonds6

About 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one

5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one (PubChem CID 71506172) has the molecular formula C18H14ClF5O2 and a molecular weight of 392.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one
PubChem CID71506172
Molecular FormulaC18H14ClF5O2
Molecular Weight392.75 g/mol
Exact Mass392.06
IUPAC Name5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one
SMILESO=C(CCc1ccccc1)C(F)(F)C(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C18H14ClF5O2/c19-14-9-7-13(8-10-14)16(26,18(22,23)24)17(20,21)15(25)11-6-12-4-2-1-3-5-12/h1-5,7-10,26H,6,11H2
InChIKeyUIZBUHICMKTSGC-UHFFFAOYSA-N
XLogP4.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.75
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanone, 2-(p-chloro-alpha-hydroxybenzyl)-
CID 3045878
4-Chloro-alpha-(4-chlorophenyl)-alpha-(trifluoromethyl)benzenemethanol
CID 96881
(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
CID 5290861
6,6,7,7-Tetrafluoro-5-hydroxy-1,5-diphenyl-1-hepten-3-one
CID 5290862
2-(2-Chlorophenyl)-2-hydroxycyclohexan-1-one
CID 129318411
7-(2-Chlorophenyl)-1-hydroxy-1,1-diphenylheptane-3,5-dione
CID 276495
3-((1,1'-Biphenyl)-4-yl)-3-(4-chlorophenyl)-3-hydroxypropanoic acid
CID 3054480
2-Chloro-1,1-bis(4-chlorophenyl)-2,2-difluoroethanol
CID 238344
4'-Chloro-alpha,alpha-difluoro-beta-hydroxy-beta-phenylpropiophenone
CID 10979379
1,1-Bis(4-chlorophenyl)-2,2-difluoroethanol
CID 101541039
(E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 89157740
1,1-Bis-(p-chlorophenyl)-2,2,3,3,3-pentafluoropropanol
CID 101519005

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one?
The IUPAC name of 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one (CID 71506172) is 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one is O=C(CCc1ccccc1)C(F)(F)C(O)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one?
The InChIKey is UIZBUHICMKTSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF5O2/c19-14-9-7-13(8-10-14)16(26,18(22,23)24)17(20,21)15(25)11-6-12-4-2-1-3-5-12/h1-5,7-10,26H,6,11H2.
What are the key properties of 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one?
5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one has a molecular weight of 392.75 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one is sourced from PubChem (CID 71506172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).