methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate

C10H8Cl2F2O3 — CID 166132525

IUPACmethyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C10H8Cl2F2O3/c1-16-8-6(12)4-3-5(11)7(8)10(13,14)9(15)17-2/h3-4H,1-2H3
InChIKeyIEBCSCNCTLFPHQ-UHFFFAOYSA-N
MW285.07 g/mol
LogP3.27
Rot. Bonds3

About methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate

methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate (PubChem CID 166132525) has the molecular formula C10H8Cl2F2O3 and a molecular weight of 285.07 g/mol. Its IUPAC name is methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate
PubChem CID166132525
Molecular FormulaC10H8Cl2F2O3
Molecular Weight285.07 g/mol
Exact Mass283.98
IUPAC Namemethyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C10H8Cl2F2O3/c1-16-8-6(12)4-3-5(11)7(8)10(13,14)9(15)17-2/h3-4H,1-2H3
InChIKeyIEBCSCNCTLFPHQ-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 118827634
methyl 3,6-dichloro-2-(trifluoromethyl)benzoate
CID 167314115
methyl 4-chloro-2,3-bis(trifluoromethyl)benzoate
CID 134645652
ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate
CID 166132530
3-chloro-6-methoxy-2-(trifluoromethyl)benzoyl chloride
CID 171002680
4-chloro-3-methoxy-2-(2,2,2-trifluoroethyl)benzoic acid
CID 70129803
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
CID 171002787
2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
CID 117310322
1-(4-chloro-2,3-dimethoxyphenyl)ethanone
CID 84680566
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
methyl 2,2-difluoro-2-(4-iodophenyl)acetate
CID 71045669

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate?
The IUPAC name of methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate (CID 166132525) is methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate?
The canonical SMILES for methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate is COC(=O)C(F)(F)c1c(Cl)ccc(Cl)c1OC.
What is the InChIKey of methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate?
The InChIKey is IEBCSCNCTLFPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2O3/c1-16-8-6(12)4-3-5(11)7(8)10(13,14)9(15)17-2/h3-4H,1-2H3.
What are the key properties of methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate?
methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate has a molecular weight of 285.07 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate is sourced from PubChem (CID 166132525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).