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

C16H13F3O2 — CID 53254076

IUPAC1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
SMILESO=C(COCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H13F3O2/c17-16(18,19)14-8-6-12(7-9-14)10-21-11-15(20)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeySPMVKZGDFMFIOH-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.10
Rot. Bonds5

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

1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone (PubChem CID 53254076) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
PubChem CID53254076
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
SMILESO=C(COCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H13F3O2/c17-16(18,19)14-8-6-12(7-9-14)10-21-11-15(20)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeySPMVKZGDFMFIOH-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
1-phenyl-2-(pyridin-4-ylmethoxy)ethanone
CID 23312308
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146008767
1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624077
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
2-phenacyloxy-1-phenylethanone
CID 12781821
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone
CID 22960642
CID 175394574
CID 175394574
4-[(4-tritylphenyl)methoxymethyl]benzoic acid
CID 174525236
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone
CID 146009381

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone?
The IUPAC name of 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone (CID 53254076) is 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone.
What is the SMILES notation for 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone?
The canonical SMILES for 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone is O=C(COCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone?
The InChIKey is SPMVKZGDFMFIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-16(18,19)14-8-6-12(7-9-14)10-21-11-15(20)13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone?
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone has a molecular weight of 294.27 g/mol, XLogP of 4.10, 5 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)phenyl]methoxy]ethanone is sourced from PubChem (CID 53254076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).