methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate

C11H11F3O3 — CID 170997204

IUPACmethyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C)cc1OC(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-7-3-4-8(6-10(15)16-2)9(5-7)17-11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyQMEVQELFBKYDGQ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate

methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate (PubChem CID 170997204) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate
PubChem CID170997204
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Namemethyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C)cc1OC(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-7-3-4-8(6-10(15)16-2)9(5-7)17-11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyQMEVQELFBKYDGQ-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-methyl-2-(trifluoromethoxy)phenyl]propanoate
CID 134634727
methyl 2-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]acetate
CID 170999571
methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate
CID 170998947
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
methyl 2-[6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134681147
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
methyl 4-ethyl-3-(trifluoromethoxy)benzoate
CID 59382476
methyl 2-[2-iodo-4-(trifluoromethoxy)phenyl]acetate
CID 170998361
[5-methyl-2-(trifluoromethoxy)phenyl]methanol
CID 67765469
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
methyl 2-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134662195

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate (CID 170997204) is methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate is COC(=O)Cc1ccc(C)cc1OC(F)(F)F.
What is the InChIKey of methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate?
The InChIKey is QMEVQELFBKYDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-7-3-4-8(6-10(15)16-2)9(5-7)17-11(12,13)14/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate?
methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate has a molecular weight of 248.20 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 170997204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).