1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one

C12H15FO2 — CID 103456290

IUPAC1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(O)C(=O)c1ccccc1F
InChIInChI=1S/C12H15FO2/c1-12(2,3)11(15)10(14)8-6-4-5-7-9(8)13/h4-7,11,15H,1-3H3
InChIKeyWTWMZCPMKHRQSO-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.42
Rot. Bonds2

About 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one

1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one (PubChem CID 103456290) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
PubChem CID103456290
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(O)C(=O)c1ccccc1F
InChIInChI=1S/C12H15FO2/c1-12(2,3)11(15)10(14)8-6-4-5-7-9(8)13/h4-7,11,15H,1-3H3
InChIKeyWTWMZCPMKHRQSO-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456132
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
1-(2-fluorophenyl)-2-hydroxybutan-1-one
CID 103453135
3-(2-fluorophenyl)-2-methyl-3-oxopropanal
CID 112677228
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730
2-amino-1-(2-fluorophenyl)-2-methoxyethanone
CID 57287151
3-(2-fluorophenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924244
ethane;2-fluorobenzoic acid
CID 91182768
2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one
CID 174768245
1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724047
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
4-(2-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 60914023

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one (CID 103456290) is 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one is CC(C)(C)C(O)C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The InChIKey is WTWMZCPMKHRQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-12(2,3)11(15)10(14)8-6-4-5-7-9(8)13/h4-7,11,15H,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one?
1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one has a molecular weight of 210.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103456290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).