1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone

C10H8Cl2F2O2 — CID 82006425

IUPAC1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone
SMILESO=C(COCC(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2F2O2/c11-6-1-2-8(12)7(3-6)9(15)4-16-5-10(13)14/h1-3,10H,4-5H2
InChIKeyPVSRUCKCBRWIAR-UHFFFAOYSA-N
MW269.07 g/mol
LogP3.46
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone

1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone (PubChem CID 82006425) has the molecular formula C10H8Cl2F2O2 and a molecular weight of 269.07 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone
PubChem CID82006425
Molecular FormulaC10H8Cl2F2O2
Molecular Weight269.07 g/mol
Exact Mass267.99
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone
SMILESO=C(COCC(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2F2O2/c11-6-1-2-8(12)7(3-6)9(15)4-16-5-10(13)14/h1-3,10H,4-5H2
InChIKeyPVSRUCKCBRWIAR-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,5-dichlorophenyl)-2-oxoethoxy]acetic acid
CID 61329924
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
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CID 43412967
1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one
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1-(2,5-dichlorophenyl)-2-heptoxyethanone
CID 43800122
2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 82006063
1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone
CID 62030672
2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
CID 106203267
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
1-(2,5-dichlorophenyl)-4-methoxy-3-methylbutan-1-one
CID 105095321
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601
1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone (CID 82006425) is 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone is O=C(COCC(F)F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone?
The InChIKey is PVSRUCKCBRWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2O2/c11-6-1-2-8(12)7(3-6)9(15)4-16-5-10(13)14/h1-3,10H,4-5H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone?
1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone has a molecular weight of 269.07 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone is sourced from PubChem (CID 82006425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).