3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one

C12H10F6O2 — CID 103309388

IUPAC3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C12H10F6O2/c1-6-5-7(3-4-8(6)20-2)9(19)10(11(13,14)15)12(16,17)18/h3-5,10H,1-2H3
InChIKeyCLOVGCFIXRXMTJ-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.93
Rot. Bonds3

About 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one (PubChem CID 103309388) has the molecular formula C12H10F6O2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one
PubChem CID103309388
Molecular FormulaC12H10F6O2
Molecular Weight300.20 g/mol
Exact Mass300.06
IUPAC Name3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C12H10F6O2/c1-6-5-7(3-4-8(6)20-2)9(19)10(11(13,14)15)12(16,17)18/h3-5,10H,1-2H3
InChIKeyCLOVGCFIXRXMTJ-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 107129942
2-bromo-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-one
CID 82254707
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
CID 129094735
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 15324535
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116920361
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100699
methyl 3-amino-4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 82348273
2-(4-methoxy-3-methylphenyl)-2-oxoacetaldehyde
CID 83529774
2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100693
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
4-methoxy-3-methylbenzoyl cyanide
CID 116918931
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one (CID 103309388) is 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one is COc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1C.
What is the InChIKey of 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one?
The InChIKey is CLOVGCFIXRXMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O2/c1-6-5-7(3-4-8(6)20-2)9(19)10(11(13,14)15)12(16,17)18/h3-5,10H,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one has a molecular weight of 300.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103309388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).