1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone

C16H12F4O2 — CID 146008767

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F4O2/c17-14-7-12(6-13(8-14)16(18,19)20)15(21)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyMCCZKOSYIZXNRT-UHFFFAOYSA-N
MW312.26 g/mol
LogP4.24
Rot. Bonds5

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone

1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone (PubChem CID 146008767) has the molecular formula C16H12F4O2 and a molecular weight of 312.26 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
PubChem CID146008767
Molecular FormulaC16H12F4O2
Molecular Weight312.26 g/mol
Exact Mass312.08
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F4O2/c17-14-7-12(6-13(8-14)16(18,19)20)15(21)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyMCCZKOSYIZXNRT-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone
CID 146009381
2-chloro-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 130132466
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone
CID 22960642
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
3-fluorobenzoic acid;3-fluoro-5-(trifluoromethyl)benzoic acid
CID 160578219
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 170896141
1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
CID 146011181

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone (CID 146008767) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone?
The InChIKey is MCCZKOSYIZXNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O2/c17-14-7-12(6-13(8-14)16(18,19)20)15(21)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone?
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone has a molecular weight of 312.26 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone is sourced from PubChem (CID 146008767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).