4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one

C11H10F4O — CID 79954422

IUPAC4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
SMILESCc1cc(F)ccc1C(=O)CCC(F)(F)F
InChIInChI=1S/C11H10F4O/c1-7-6-8(12)2-3-9(7)10(16)4-5-11(13,14)15/h2-3,6H,4-5H2,1H3
InChIKeyQQRKGCUTLAZGOD-UHFFFAOYSA-N
MW234.19 g/mol
LogP3.66
Rot. Bonds3

About 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one

4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one (PubChem CID 79954422) has the molecular formula C11H10F4O and a molecular weight of 234.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
PubChem CID79954422
Molecular FormulaC11H10F4O
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Name4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
SMILESCc1cc(F)ccc1C(=O)CCC(F)(F)F
InChIInChI=1S/C11H10F4O/c1-7-6-8(12)2-3-9(7)10(16)4-5-11(13,14)15/h2-3,6H,4-5H2,1H3
InChIKeyQQRKGCUTLAZGOD-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
4,4,4-trifluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 102752652
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105095672
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 113370093
1-(4-fluoro-2-methylphenyl)-2-propan-2-ylsulfanylethanone
CID 65134273
3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116566877
1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone
CID 144675666
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726186

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one (CID 79954422) is 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one is Cc1cc(F)ccc1C(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one?
The InChIKey is QQRKGCUTLAZGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O/c1-7-6-8(12)2-3-9(7)10(16)4-5-11(13,14)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one?
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one has a molecular weight of 234.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one is sourced from PubChem (CID 79954422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).