2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid

C6H5F2NO3S — CID 106920845

IUPAC2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid
SMILESCc1coc(SC(F)(F)C(=O)O)n1
InChIInChI=1S/C6H5F2NO3S/c1-3-2-12-5(9-3)13-6(7,8)4(10)11/h2H,1H3,(H,10,11)
InChIKeyRWYOSMRKQNONPY-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.75
Rot. Bonds3

About 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid

2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid (PubChem CID 106920845) has the molecular formula C6H5F2NO3S and a molecular weight of 209.17 g/mol. Its IUPAC name is 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid
PubChem CID106920845
Molecular FormulaC6H5F2NO3S
Molecular Weight209.17 g/mol
Exact Mass209.00
IUPAC Name2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid
SMILESCc1coc(SC(F)(F)C(=O)O)n1
InChIInChI=1S/C6H5F2NO3S/c1-3-2-12-5(9-3)13-6(7,8)4(10)11/h2H,1H3,(H,10,11)
InChIKeyRWYOSMRKQNONPY-UHFFFAOYSA-N
XLogP1.75
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid (CID 106920845) is 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid is Cc1coc(SC(F)(F)C(=O)O)n1.
What is the InChIKey of 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid?
The InChIKey is RWYOSMRKQNONPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3S/c1-3-2-12-5(9-3)13-6(7,8)4(10)11/h2H,1H3,(H,10,11).
What are the key properties of 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid?
2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid has a molecular weight of 209.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 106920845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).