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

C12H15FO — CID 24724047

IUPAC1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)c1ccccc1F
InChIInChI=1S/C12H15FO/c1-4-12(2,3)11(14)9-7-5-6-8-10(9)13/h5-8H,4H2,1-3H3
InChIKeyPWRFZWXSNABNGM-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.44
Rot. Bonds3

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

1-(2-fluorophenyl)-2,2-dimethylbutan-1-one (PubChem CID 24724047) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
PubChem CID24724047
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)c1ccccc1F
InChIInChI=1S/C12H15FO/c1-4-12(2,3)11(14)9-7-5-6-8-10(9)13/h5-8H,4H2,1-3H3
InChIKeyPWRFZWXSNABNGM-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-1-(2-fluorophenyl)butan-1-one
CID 140875241
1-(2-ethylphenyl)-2,2-dimethylbutan-1-one
CID 146006575
2-(ethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116566057
2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116592956
2-bromo-1-(2-fluorophenyl)-2-methylsulfonylbutan-1-one
CID 102549912
2-ethyl-1-(2-fluorophenyl)-2-methyl-4-phenylbut-3-yn-1-one
CID 164681278
2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one
CID 79067259
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
CID 146007407
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146008829
1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456290

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2,2-dimethylbutan-1-one (CID 24724047) is 1-(2-fluorophenyl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2,2-dimethylbutan-1-one?
The InChIKey is PWRFZWXSNABNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-4-12(2,3)11(14)9-7-5-6-8-10(9)13/h5-8H,4H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-2,2-dimethylbutan-1-one?
1-(2-fluorophenyl)-2,2-dimethylbutan-1-one has a molecular weight of 194.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 24724047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).