2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone

C15H10Cl2F2O2 — CID 115736583

IUPAC2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H10Cl2F2O2/c16-10-5-6-12(17)9(7-10)8-13(20)11-3-1-2-4-14(11)21-15(18)19/h1-7,15H,8H2
InChIKeyHOOBPAMUTARMDQ-UHFFFAOYSA-N
MW331.15 g/mol
LogP5.02
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone

2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone (PubChem CID 115736583) has the molecular formula C15H10Cl2F2O2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone
PubChem CID115736583
Molecular FormulaC15H10Cl2F2O2
Molecular Weight331.15 g/mol
Exact Mass330.00
IUPAC Name2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H10Cl2F2O2/c16-10-5-6-12(17)9(7-10)8-13(20)11-3-1-2-4-14(11)21-15(18)19/h1-7,15H,8H2
InChIKeyHOOBPAMUTARMDQ-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.15
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
CID 175668326
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 55416097
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327319
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 4851105
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone (CID 115736583) is 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone is O=C(Cc1cc(Cl)ccc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone?
The InChIKey is HOOBPAMUTARMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2O2/c16-10-5-6-12(17)9(7-10)8-13(20)11-3-1-2-4-14(11)21-15(18)19/h1-7,15H,8H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone?
2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone has a molecular weight of 331.15 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 115736583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).