2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid

C7H7F2NO3 — CID 84771688

IUPAC2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid
SMILESCC(F)(F)c1ncc(CC(=O)O)o1
InChIInChI=1S/C7H7F2NO3/c1-7(8,9)6-10-3-4(13-6)2-5(11)12/h3H,2H2,1H3,(H,11,12)
InChIKeyFWHWERANACBUOS-UHFFFAOYSA-N
MW191.13 g/mol
LogP1.41
Rot. Bonds3

About 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid

2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid (PubChem CID 84771688) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid
PubChem CID84771688
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid
SMILESCC(F)(F)c1ncc(CC(=O)O)o1
InChIInChI=1S/C7H7F2NO3/c1-7(8,9)6-10-3-4(13-6)2-5(11)12/h3H,2H2,1H3,(H,11,12)
InChIKeyFWHWERANACBUOS-UHFFFAOYSA-N
XLogP1.41
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid (CID 84771688) is 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid is CC(F)(F)c1ncc(CC(=O)O)o1.
What is the InChIKey of 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid?
The InChIKey is FWHWERANACBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c1-7(8,9)6-10-3-4(13-6)2-5(11)12/h3H,2H2,1H3,(H,11,12).
What are the key properties of 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid?
2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid has a molecular weight of 191.13 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 84771688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).