ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate

C10H8Cl2F2O2 — CID 118647040

IUPACethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2F2O2/c1-2-16-9(15)10(13,14)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3
InChIKeyMOFKSRVUPVTHRQ-UHFFFAOYSA-N
MW269.07 g/mol
LogP3.65
Rot. Bonds3

About ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate

ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate (PubChem CID 118647040) has the molecular formula C10H8Cl2F2O2 and a molecular weight of 269.07 g/mol. Its IUPAC name is ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
PubChem CID118647040
Molecular FormulaC10H8Cl2F2O2
Molecular Weight269.07 g/mol
Exact Mass267.99
IUPAC Nameethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2F2O2/c1-2-16-9(15)10(13,14)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3
InChIKeyMOFKSRVUPVTHRQ-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate (CID 118647040) is ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate?
The InChIKey is MOFKSRVUPVTHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2O2/c1-2-16-9(15)10(13,14)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate?
ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate has a molecular weight of 269.07 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate is sourced from PubChem (CID 118647040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).