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

C16H10ClF5O2 — CID 71505831

IUPAC3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H10ClF5O2/c17-12-8-6-11(7-9-12)14(24,16(20,21)22)15(18,19)13(23)10-4-2-1-3-5-10/h1-9,24H
InChIKeyNJIVOOLKYDWCKH-UHFFFAOYSA-N
MW364.70 g/mol
LogP4.61
Rot. Bonds4

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

3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one (PubChem CID 71505831) has the molecular formula C16H10ClF5O2 and a molecular weight of 364.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one
PubChem CID71505831
Molecular FormulaC16H10ClF5O2
Molecular Weight364.70 g/mol
Exact Mass364.03
IUPAC Name3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H10ClF5O2/c17-12-8-6-11(7-9-12)14(24,16(20,21)22)15(18,19)13(23)10-4-2-1-3-5-10/h1-9,24H
InChIKeyNJIVOOLKYDWCKH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4'-Chlorobenzoyl)benzoic acid
CID 66564
4-Biphenylcarboxylic acid, 4'-chloro-
CID 616002
(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-[(4-Chlorophenyl)methyl]-3-hydroxy-naphthalene-1,4-dione
CID 490355
1,2-Bis(4-chlorophenyl)-2-hydroxyethanone
CID 219286
4'-Chloro-5-fluoro-2-hydroxybenzophenone
CID 112841
4'-Chloro-[1,1'-biphenyl]-2-carboxylic acid
CID 2757418
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
CID 245919
4'-Chloro-3'-fluoro[1,1'-biphenyl]-4-carboxylic acid
CID 2757572

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one (CID 71505831) is 3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one is O=C(c1ccccc1)C(F)(F)C(O)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one?
The InChIKey is NJIVOOLKYDWCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF5O2/c17-12-8-6-11(7-9-12)14(24,16(20,21)22)15(18,19)13(23)10-4-2-1-3-5-10/h1-9,24H.
What are the key properties of 3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one?
3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-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 3-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one is sourced from PubChem (CID 71505831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).