1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone

C16H12F4O3 — CID 146009381

IUPAC1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C16H12F4O3/c17-13-8-12(6-7-15(13)23-16(18,19)20)14(21)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyHRQWPRNLRUTTAL-UHFFFAOYSA-N
MW328.26 g/mol
LogP4.12
Rot. Bonds6

About 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone

1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone (PubChem CID 146009381) has the molecular formula C16H12F4O3 and a molecular weight of 328.26 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone
PubChem CID146009381
Molecular FormulaC16H12F4O3
Molecular Weight328.26 g/mol
Exact Mass328.07
IUPAC Name1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C16H12F4O3/c17-13-8-12(6-7-15(13)23-16(18,19)20)14(21)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyHRQWPRNLRUTTAL-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-one
CID 146009340
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146008767
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
CID 146011181
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylbutan-1-one
CID 135133798
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029822
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7546510

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone (CID 146009381) is 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone?
The InChIKey is HRQWPRNLRUTTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O3/c17-13-8-12(6-7-15(13)23-16(18,19)20)14(21)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone?
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone has a molecular weight of 328.26 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone is sourced from PubChem (CID 146009381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).