2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone

C16H13F3O3 — CID 176890348

IUPAC2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O3/c1-21-13-6-2-11(3-7-13)10-22-14-8-4-12(5-9-14)15(20)16(17,18)19/h2-9H,10H2,1H3
InChIKeySQTRXOZTKSPRAP-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.02
Rot. Bonds5

About 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone

2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 176890348) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID176890348
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O3/c1-21-13-6-2-11(3-7-13)10-22-14-8-4-12(5-9-14)15(20)16(17,18)19/h2-9H,10H2,1H3
InChIKeySQTRXOZTKSPRAP-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone
CID 14709558
1-hydroxy-2-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxoethanesulfonic acid
CID 13340087
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
2,2,2-trifluoro-1-[4-[[2,4,6-tributyl-3,5-bis[[4-(2,2,2-trifluoroacetyl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanone
CID 102572345
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone (CID 176890348) is 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(COc2ccc(C(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is SQTRXOZTKSPRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-21-13-6-2-11(3-7-13)10-22-14-8-4-12(5-9-14)15(20)16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 310.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 176890348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).