chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate

C10H7Cl3F2O4 — CID 154287423

IUPACchloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate
SMILESO=C(COc1cccc(OC(F)(F)C(Cl)Cl)c1)OCl
InChIInChI=1S/C10H7Cl3F2O4/c11-9(12)10(14,15)18-7-3-1-2-6(4-7)17-5-8(16)19-13/h1-4,9H,5H2
InChIKeyCMIFOZPSOBLETH-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.54
Rot. Bonds6

About chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate

chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate (PubChem CID 154287423) has the molecular formula C10H7Cl3F2O4 and a molecular weight of 335.52 g/mol. Its IUPAC name is chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate.

Molecular Properties

Compound Namechloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate
PubChem CID154287423
Molecular FormulaC10H7Cl3F2O4
Molecular Weight335.52 g/mol
Exact Mass333.94
IUPAC Namechloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate
SMILESO=C(COc1cccc(OC(F)(F)C(Cl)Cl)c1)OCl
InChIInChI=1S/C10H7Cl3F2O4/c11-9(12)10(14,15)18-7-3-1-2-6(4-7)17-5-8(16)19-13/h1-4,9H,5H2
InChIKeyCMIFOZPSOBLETH-UHFFFAOYSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-dichloro-1,1-difluoroethoxy)phenol
CID 154087912
[3-(2,2-dichloro-1,1-difluoroethoxy)phenyl] bromomethanesulfonate
CID 154159327
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-[3-(1,1-difluoro-2-methylpropoxy)phenyl]acetic acid
CID 70526950
2-chloro-1-[3-(trifluoromethoxy)phenyl]butan-1-one
CID 146008195
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803995
2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride
CID 87204041

Frequently Asked Questions

What is the IUPAC name of chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate?
The IUPAC name of chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate (CID 154287423) is chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate.
What is the SMILES notation for chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate?
The canonical SMILES for chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate is O=C(COc1cccc(OC(F)(F)C(Cl)Cl)c1)OCl.
What is the InChIKey of chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate?
The InChIKey is CMIFOZPSOBLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3F2O4/c11-9(12)10(14,15)18-7-3-1-2-6(4-7)17-5-8(16)19-13/h1-4,9H,5H2.
What are the key properties of chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate?
chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate has a molecular weight of 335.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate is sourced from PubChem (CID 154287423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).