methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate

C10H9F3O3S — CID 2800845

IUPACmethyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3S/c1-15-9(14)6-16-7-2-4-8(5-3-7)17-10(11,12)13/h2-5H,6H2,1H3
InChIKeyAOHQFPJMUJOUJQ-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.85
Rot. Bonds4

About methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate

methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate (PubChem CID 2800845) has the molecular formula C10H9F3O3S and a molecular weight of 266.24 g/mol. Its IUPAC name is methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate
PubChem CID2800845
Molecular FormulaC10H9F3O3S
Molecular Weight266.24 g/mol
Exact Mass266.02
IUPAC Namemethyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3S/c1-15-9(14)6-16-7-2-4-8(5-3-7)17-10(11,12)13/h2-5H,6H2,1H3
InChIKeyAOHQFPJMUJOUJQ-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide
CID 2800846
methyl 2-(4-fluorophenoxy)acetate
CID 580550
N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide
CID 100994103
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-[4-[3-(4-iodophenyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetate
CID 91451184
methyl 2-[4-[(Z)-3-(4-iodophenyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetate
CID 86629321
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate
CID 107444896
methyl 2-pyridin-4-yloxyacetate
CID 90026078

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate (CID 2800845) is methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate is COC(=O)COc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate?
The InChIKey is AOHQFPJMUJOUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3S/c1-15-9(14)6-16-7-2-4-8(5-3-7)17-10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate?
methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate has a molecular weight of 266.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate is sourced from PubChem (CID 2800845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).