1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one

C11H12ClFO2 — CID 103446096

IUPAC1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
SMILESCC(C)(O)C(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H12ClFO2/c1-11(2,15)10(14)5-7-3-4-8(12)6-9(7)13/h3-4,6,15H,5H2,1-2H3
InChIKeyYBNLTENDBYZZOE-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.36
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one

1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one (PubChem CID 103446096) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
PubChem CID103446096
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
SMILESCC(C)(O)C(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H12ClFO2/c1-11(2,15)10(14)5-7-3-4-8(12)6-9(7)13/h3-4,6,15H,5H2,1-2H3
InChIKeyYBNLTENDBYZZOE-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3,3,4,4,4-pentafluorobutan-2-one
CID 114038362
2-(4-chloro-2-fluorophenyl)acetic acid
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1-(4-chloro-2-fluorophenyl)-3-ethyl-3-methoxypentan-2-one
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1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105135666
2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
1-(4-chloro-2-fluorophenyl)-2,3,3-trimethylbutan-2-ol
CID 114852559
5-amino-1-(4-chloro-2-fluorophenyl)-5-methylhexan-2-one
CID 114863343
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
CID 114863220
1-(4-chloro-2-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 114851814
3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one (CID 103446096) is 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one is CC(C)(O)C(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one?
The InChIKey is YBNLTENDBYZZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-11(2,15)10(14)5-7-3-4-8(12)6-9(7)13/h3-4,6,15H,5H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one?
1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one has a molecular weight of 230.67 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one is sourced from PubChem (CID 103446096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).