methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate

C10H11FO2S — CID 91881338

IUPACmethyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate
SMILESCOC(=O)Cc1ccc(SC)cc1F
InChIInChI=1S/C10H11FO2S/c1-13-10(12)5-7-3-4-8(14-2)6-9(7)11/h3-4,6H,5H2,1-2H3
InChIKeyPQFHSSMENUETAT-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.26
Rot. Bonds3

About methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate

methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate (PubChem CID 91881338) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate
PubChem CID91881338
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Namemethyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate
SMILESCOC(=O)Cc1ccc(SC)cc1F
InChIInChI=1S/C10H11FO2S/c1-13-10(12)5-7-3-4-8(14-2)6-9(7)11/h3-4,6H,5H2,1-2H3
InChIKeyPQFHSSMENUETAT-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methylsulfanylphenyl)acetate
CID 12067662
1,5-bis(2-fluoro-4-methylsulfanylphenyl)pentan-3-one
CID 174941517
ethane;methyl 2-(4-methylsulfanylphenyl)acetate
CID 144684310
methyl 2-[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86721971
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
methyl 2-ethyl-5-methylsulfanylbenzoate
CID 91880894
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373
methyl 2-[2-[(3-methylsulfanylanilino)methyl]phenyl]acetate
CID 115461388
methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate
CID 70983319
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate?
The IUPAC name of methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate (CID 91881338) is methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate?
The canonical SMILES for methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate is COC(=O)Cc1ccc(SC)cc1F.
What is the InChIKey of methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate?
The InChIKey is PQFHSSMENUETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-13-10(12)5-7-3-4-8(14-2)6-9(7)11/h3-4,6H,5H2,1-2H3.
What are the key properties of methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate?
methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate has a molecular weight of 214.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate is sourced from PubChem (CID 91881338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).