2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone

C17H11ClF6O2 — CID 22960642

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone
SMILESO=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF6O2/c18-14-3-1-11(2-4-14)15(25)9-26-8-10-5-12(16(19,20)21)7-13(6-10)17(22,23)24/h1-7H,8-9H2
InChIKeyJZVRDQWOQOGRLW-UHFFFAOYSA-N
MW396.71 g/mol
LogP5.78
Rot. Bonds5

About 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone

2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone (PubChem CID 22960642) has the molecular formula C17H11ClF6O2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone
PubChem CID22960642
Molecular FormulaC17H11ClF6O2
Molecular Weight396.71 g/mol
Exact Mass396.04
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone
SMILESO=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF6O2/c18-14-3-1-11(2-4-14)15(25)9-26-8-10-5-12(16(19,20)21)7-13(6-10)17(22,23)24/h1-7H,8-9H2
InChIKeyJZVRDQWOQOGRLW-UHFFFAOYSA-N
XLogP5.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
4-[2-[(4-chlorophenyl)methoxy]acetyl]benzonitrile
CID 65126529
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146008767
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
CID 61328747
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
CID 102722486
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
CID 599354

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone (CID 22960642) is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone is O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone?
The InChIKey is JZVRDQWOQOGRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF6O2/c18-14-3-1-11(2-4-14)15(25)9-26-8-10-5-12(16(19,20)21)7-13(6-10)17(22,23)24/h1-7H,8-9H2.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone?
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone has a molecular weight of 396.71 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 22960642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).