2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid

C8H6F2O3S — CID 81218217

IUPAC2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid
SMILESO=C(O)C(F)(F)Sc1ccccc1O
InChIInChI=1S/C8H6F2O3S/c9-8(10,7(12)13)14-6-4-2-1-3-5(6)11/h1-4,11H,(H,12,13)
InChIKeyIGXDXFBLKLRKMG-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.16
Rot. Bonds3

About 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid

2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid (PubChem CID 81218217) has the molecular formula C8H6F2O3S and a molecular weight of 220.20 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid
PubChem CID81218217
Molecular FormulaC8H6F2O3S
Molecular Weight220.20 g/mol
Exact Mass220.00
IUPAC Name2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid
SMILESO=C(O)C(F)(F)Sc1ccccc1O
InChIInChI=1S/C8H6F2O3S/c9-8(10,7(12)13)14-6-4-2-1-3-5(6)11/h1-4,11H,(H,12,13)
InChIKeyIGXDXFBLKLRKMG-UHFFFAOYSA-N
XLogP2.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethylsulfanyl)phenol
CID 10176507
2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid
CID 82237250
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
2-(trifluoromethyldisulfanyl)phenol
CID 54099612
2-(1,3-benzothiazol-2-ylsulfanyl)-2,2-difluoroacetic acid
CID 81218211
2,2-difluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 81218371
2-(3-chloro-1,1,1-trifluoropropan-2-yl)sulfanylphenol
CID 14570670
2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid
CID 84736706
2-[(3-bromo-2-pyridinyl)sulfanyl]-2,2-difluoroacetic acid
CID 81218218
2,2-difluoro-2-(3-methoxyphenyl)sulfanylacetic acid
CID 81217752
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 141495057

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid?
The IUPAC name of 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid (CID 81218217) is 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid.
What is the SMILES notation for 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid?
The canonical SMILES for 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid is O=C(O)C(F)(F)Sc1ccccc1O.
What is the InChIKey of 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid?
The InChIKey is IGXDXFBLKLRKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O3S/c9-8(10,7(12)13)14-6-4-2-1-3-5(6)11/h1-4,11H,(H,12,13).
What are the key properties of 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid?
2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid has a molecular weight of 220.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid is sourced from PubChem (CID 81218217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).