2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid

C10H11FO2S — CID 84680363

IUPAC2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1SCCF
InChIInChI=1S/C10H11FO2S/c11-5-6-14-9-4-2-1-3-8(9)7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChIKeyYRZWODOMNCQWRH-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.38
Rot. Bonds5

About 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid

2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid (PubChem CID 84680363) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid
PubChem CID84680363
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1SCCF
InChIInChI=1S/C10H11FO2S/c11-5-6-14-9-4-2-1-3-8(9)7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChIKeyYRZWODOMNCQWRH-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(carboxymethyl)phenyl]sulfanylpropanoic acid
CID 10444309
2-(2-propan-2-ylsulfanylphenyl)acetic acid
CID 12533893
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[2-(aminomethyl)phenyl]sulfanylethanol
CID 63808391
2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one
CID 84793683
2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
CID 12742097
2-[2-(carboxymethyl)phenyl]sulfanylbutanoic acid
CID 91880343
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
10-[2-(3-carboxypropylsulfanyl)phenyl]sulfanyldecanoic acid
CID 18795791
17-[2-(3-carboxypropylsulfanyl)phenyl]sulfanylheptadecanoic acid
CID 18796014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid (CID 84680363) is 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid is O=C(O)Cc1ccccc1SCCF.
What is the InChIKey of 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid?
The InChIKey is YRZWODOMNCQWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c11-5-6-14-9-4-2-1-3-8(9)7-10(12)13/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid?
2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid is sourced from PubChem (CID 84680363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).