2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one

C18H17F3O — CID 16680132

IUPAC2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O/c1-17(2,3)16(22)15-7-5-4-6-14(15)12-8-10-13(11-9-12)18(19,20)21/h4-11H,1-3H3
InChIKeyBFFAJTIMSNUVJN-UHFFFAOYSA-N
MW306.33 g/mol
LogP5.60
Rot. Bonds2

About 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one

2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one (PubChem CID 16680132) has the molecular formula C18H17F3O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
PubChem CID16680132
Molecular FormulaC18H17F3O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O/c1-17(2,3)16(22)15-7-5-4-6-14(15)12-8-10-13(11-9-12)18(19,20)21/h4-11H,1-3H3
InChIKeyBFFAJTIMSNUVJN-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.33
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl 2-[4-(trifluoromethyl)phenyl]benzenecarboperoxoate
CID 174839382
N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 22066223
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103643
[(2S)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103644
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604
N-quinolin-2-yl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 69267048
N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 51120447
N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 152781290
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 59710971

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one (CID 16680132) is 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one is CC(C)(C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The InChIKey is BFFAJTIMSNUVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O/c1-17(2,3)16(22)15-7-5-4-6-14(15)12-8-10-13(11-9-12)18(19,20)21/h4-11H,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one has a molecular weight of 306.33 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one is sourced from PubChem (CID 16680132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).