1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone

C15H11F3O2 — CID 60624077

IUPAC1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)12-6-8-13(9-7-12)20-10-14(19)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyXXZTZQDPFRBIAC-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.97
Rot. Bonds4

About 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone

1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone (PubChem CID 60624077) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
PubChem CID60624077
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)12-6-8-13(9-7-12)20-10-14(19)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyXXZTZQDPFRBIAC-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
1-(1-methylpyrrol-3-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624057
phenol;2-phenoxy-1-phenylethanone
CID 161484281
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
CID 123801738
CID 123801738
CID 175394574
CID 175394574
2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247580
1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624081
[2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]boronic acid
CID 15965750
1-(4-phenacyloxyphenyl)-3-phenylurea
CID 172640057
2-[4-[(Z)-3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid
CID 10388736

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone (CID 60624077) is 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone is O=C(COc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is XXZTZQDPFRBIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)12-6-8-13(9-7-12)20-10-14(19)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone?
1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 280.25 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 60624077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).