(2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate

C9H5Cl2F3O2 — CID 91723368

IUPAC(2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate
SMILESO=C(OCc1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C9H5Cl2F3O2/c10-6-2-1-3-7(11)5(6)4-16-8(15)9(12,13)14/h1-3H,4H2
InChIKeyPSVXTGHHBXSOHR-UHFFFAOYSA-N
MW273.04 g/mol
LogP3.60
Rot. Bonds2

About (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate

(2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate (PubChem CID 91723368) has the molecular formula C9H5Cl2F3O2 and a molecular weight of 273.04 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate
PubChem CID91723368
Molecular FormulaC9H5Cl2F3O2
Molecular Weight273.04 g/mol
Exact Mass271.96
IUPAC Name(2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate
SMILESO=C(OCc1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C9H5Cl2F3O2/c10-6-2-1-3-7(11)5(6)4-16-8(15)9(12,13)14/h1-3H,4H2
InChIKeyPSVXTGHHBXSOHR-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate (CID 91723368) is (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate is O=C(OCc1c(Cl)cccc1Cl)C(F)(F)F.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate?
The InChIKey is PSVXTGHHBXSOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3O2/c10-6-2-1-3-7(11)5(6)4-16-8(15)9(12,13)14/h1-3H,4H2.
What are the key properties of (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate?
(2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate has a molecular weight of 273.04 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91723368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).