(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one

C12H15FO — CID 143361678

IUPAC(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
SMILESCC(C)[C@H](C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO/c1-8(2)9(3)12(14)10-4-6-11(13)7-5-10/h4-9H,1-3H3/t9-/m0/s1
InChIKeyWRRXHCWJIAHKCE-VIFPVBQESA-N
MW194.25 g/mol
LogP3.30
Rot. Bonds3

About (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one

(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one (PubChem CID 143361678) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
PubChem CID143361678
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
SMILESCC(C)[C@H](C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO/c1-8(2)9(3)12(14)10-4-6-11(13)7-5-10/h4-9H,1-3H3/t9-/m0/s1
InChIKeyWRRXHCWJIAHKCE-VIFPVBQESA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
CID 174290426
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
1-(4-fluorophenyl)-2-methylbut-3-en-1-one
CID 10954084
2-tert-butylsulfinyl-1-(4-fluorophenyl)propan-1-one
CID 64638472
1-(4-fluorophenyl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one
CID 165448441
1-(4-fluorophenyl)-2-methylpentane-1,4-dione
CID 64720461
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
[(2S)-1-(4-fluorophenyl)-1-oxobutan-2-yl]azanium
CID 6940475
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747
2-azido-1-(4-fluorophenyl)propan-1-one
CID 15889768

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one?
The IUPAC name of (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one (CID 143361678) is (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one?
The canonical SMILES for (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one is CC(C)[C@H](C)C(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one?
The InChIKey is WRRXHCWJIAHKCE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FO/c1-8(2)9(3)12(14)10-4-6-11(13)7-5-10/h4-9H,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one?
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one has a molecular weight of 194.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one is sourced from PubChem (CID 143361678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).