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

C6H6FNO3S — CID 106920868

IUPAC2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid
SMILESCc1coc(SC(F)C(=O)O)n1
InChIInChI=1S/C6H6FNO3S/c1-3-2-11-6(8-3)12-4(7)5(9)10/h2,4H,1H3,(H,9,10)
InChIKeyBHUIZCFWBYLEHP-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.46
Rot. Bonds3

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

2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid (PubChem CID 106920868) has the molecular formula C6H6FNO3S and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid
PubChem CID106920868
Molecular FormulaC6H6FNO3S
Molecular Weight191.18 g/mol
Exact Mass191.01
IUPAC Name2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid
SMILESCc1coc(SC(F)C(=O)O)n1
InChIInChI=1S/C6H6FNO3S/c1-3-2-11-6(8-3)12-4(7)5(9)10/h2,4H,1H3,(H,9,10)
InChIKeyBHUIZCFWBYLEHP-UHFFFAOYSA-N
XLogP1.46
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid (CID 106920868) is 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid is Cc1coc(SC(F)C(=O)O)n1.
What is the InChIKey of 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid?
The InChIKey is BHUIZCFWBYLEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3S/c1-3-2-11-6(8-3)12-4(7)5(9)10/h2,4H,1H3,(H,9,10).
What are the key properties of 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid?
2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid has a molecular weight of 191.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 106920868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).