2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid

C8H9F2NO3 — CID 115023782

IUPAC2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid
SMILESCC(C)c1coc(C(F)(F)C(=O)O)n1
InChIInChI=1S/C8H9F2NO3/c1-4(2)5-3-14-6(11-5)8(9,10)7(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeyHAGKVDQCQNEOGS-UHFFFAOYSA-N
MW205.16 g/mol
LogP1.97
Rot. Bonds3

About 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid

2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid (PubChem CID 115023782) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid
PubChem CID115023782
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid
SMILESCC(C)c1coc(C(F)(F)C(=O)O)n1
InChIInChI=1S/C8H9F2NO3/c1-4(2)5-3-14-6(11-5)8(9,10)7(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeyHAGKVDQCQNEOGS-UHFFFAOYSA-N
XLogP1.97
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid (CID 115023782) is 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid is CC(C)c1coc(C(F)(F)C(=O)O)n1.
What is the InChIKey of 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid?
The InChIKey is HAGKVDQCQNEOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-4(2)5-3-14-6(11-5)8(9,10)7(12)13/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid?
2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid has a molecular weight of 205.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid is sourced from PubChem (CID 115023782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).