methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate

C11H11F3O4 — CID 170997187

IUPACmethyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1cc(OC(F)(F)F)ccc1OC
InChIInChI=1S/C11H11F3O4/c1-16-9-4-3-8(18-11(12,13)14)5-7(9)6-10(15)17-2/h3-5H,6H2,1-2H3
InChIKeyKDTAKBMBTFBHIZ-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate

methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate (PubChem CID 170997187) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
PubChem CID170997187
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Namemethyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1cc(OC(F)(F)F)ccc1OC
InChIInChI=1S/C11H11F3O4/c1-16-9-4-3-8(18-11(12,13)14)5-7(9)6-10(15)17-2/h3-5H,6H2,1-2H3
InChIKeyKDTAKBMBTFBHIZ-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998049
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
methyl 2-[2-sulfanyl-5-(trifluoromethoxy)phenyl]acetate
CID 170999391
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
methyl 2-[2-iodo-4-(trifluoromethoxy)phenyl]acetate
CID 170998361
3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
CID 134621524
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
2-(2,5-dimethoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 78827090
methyl 3-[2-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propanoate
CID 134634475
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
methyl 2-[2-amino-4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 154815090

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate (CID 170997187) is methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate is COC(=O)Cc1cc(OC(F)(F)F)ccc1OC.
What is the InChIKey of methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate?
The InChIKey is KDTAKBMBTFBHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-16-9-4-3-8(18-11(12,13)14)5-7(9)6-10(15)17-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate?
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate has a molecular weight of 264.20 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 170997187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).