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

C10H7Cl2F3O2 — CID 91726116

IUPAC2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H7Cl2F3O2/c11-7-2-1-6(8(12)5-7)3-4-17-9(16)10(13,14)15/h1-2,5H,3-4H2
InChIKeyLKLUDJWKPCNHAF-UHFFFAOYSA-N
MW287.06 g/mol
LogP3.64
Rot. Bonds3

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

2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate (PubChem CID 91726116) has the molecular formula C10H7Cl2F3O2 and a molecular weight of 287.06 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate
PubChem CID91726116
Molecular FormulaC10H7Cl2F3O2
Molecular Weight287.06 g/mol
Exact Mass285.98
IUPAC Name2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H7Cl2F3O2/c11-7-2-1-6(8(12)5-7)3-4-17-9(16)10(13,14)15/h1-2,5H,3-4H2
InChIKeyLKLUDJWKPCNHAF-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate (CID 91726116) is 2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate is O=C(OCCc1ccc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of 2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate?
The InChIKey is LKLUDJWKPCNHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3O2/c11-7-2-1-6(8(12)5-7)3-4-17-9(16)10(13,14)15/h1-2,5H,3-4H2.
What are the key properties of 2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate?
2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate has a molecular weight of 287.06 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91726116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).