1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone

C16H12ClF3O2 — CID 146009826

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H12ClF3O2/c17-14-8-12(16(18,19)20)6-7-13(14)15(21)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyRAAQSHBAVFKIBN-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.76
Rot. Bonds5

About 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone

1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone (PubChem CID 146009826) has the molecular formula C16H12ClF3O2 and a molecular weight of 328.72 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
PubChem CID146009826
Molecular FormulaC16H12ClF3O2
Molecular Weight328.72 g/mol
Exact Mass328.05
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H12ClF3O2/c17-14-8-12(16(18,19)20)6-7-13(14)15(21)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyRAAQSHBAVFKIBN-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
CID 146009822
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146008767
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2459819
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
CID 146010495
1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
CID 146009929
1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031532

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone (CID 146009826) is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone?
The InChIKey is RAAQSHBAVFKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3O2/c17-14-8-12(16(18,19)20)6-7-13(14)15(21)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone?
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone has a molecular weight of 328.72 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone is sourced from PubChem (CID 146009826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).