methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate

C10H8ClF3O3 — CID 141114689

IUPACmethyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate
SMILESCOC(=O)C(OC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H8ClF3O3/c1-16-9(15)8(17-10(12,13)14)6-3-2-4-7(11)5-6/h2-5,8H,1H3
InChIKeyIXONENQJEPUQIC-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.09
Rot. Bonds3

About methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate

methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate (PubChem CID 141114689) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate
PubChem CID141114689
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Namemethyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate
SMILESCOC(=O)C(OC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H8ClF3O3/c1-16-9(15)8(17-10(12,13)14)6-3-2-4-7(11)5-6/h2-5,8H,1H3
InChIKeyIXONENQJEPUQIC-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium
CID 175456753
methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate
CID 71541213
methyl 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetate
CID 122393653
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161
[(1R)-1-(3-chlorophenyl)-2-methoxy-2-oxoethyl] 3-(ethoxycarbonylamino)propanoate
CID 95626444
[1-(3-chlorophenyl)-2-methoxy-2-oxoethyl] 4-methylpyrimidine-2-carboxylate
CID 167925957
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid
CID 18700123
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
methyl 2-[(S)-(3-chlorophenyl)-fluoromethyl]prop-2-enoate
CID 125474605
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate?
The IUPAC name of methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate (CID 141114689) is methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate.
What is the SMILES notation for methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate?
The canonical SMILES for methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate is COC(=O)C(OC(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate?
The InChIKey is IXONENQJEPUQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-16-9(15)8(17-10(12,13)14)6-3-2-4-7(11)5-6/h2-5,8H,1H3.
What are the key properties of methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate?
methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate has a molecular weight of 268.62 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate is sourced from PubChem (CID 141114689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).