4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid

C7H7F2NO3 — CID 169116036

IUPAC4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid
SMILESO=C(O)C(CC(F)F)c1cnco1
InChIInChI=1S/C7H7F2NO3/c8-6(9)1-4(7(11)12)5-2-10-3-13-5/h2-4,6H,1H2,(H,11,12)
InChIKeyIGXFUNIKQZDVAG-UHFFFAOYSA-N
MW191.13 g/mol
LogP1.50
Rot. Bonds4

About 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid

4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid (PubChem CID 169116036) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid
PubChem CID169116036
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid
SMILESO=C(O)C(CC(F)F)c1cnco1
InChIInChI=1S/C7H7F2NO3/c8-6(9)1-4(7(11)12)5-2-10-3-13-5/h2-4,6H,1H2,(H,11,12)
InChIKeyIGXFUNIKQZDVAG-UHFFFAOYSA-N
XLogP1.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82416426
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CID 138040195
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CID 21197975
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CID 89310136
CID 89310136
CID 89310138
CID 89310138
CID 140207165
CID 140207165
CID 169116021
CID 169116021
CID 169781553
CID 169781553
CID 84766371
CID 84766371
CID 84767241
CID 84767241
CID 84771688
CID 84771688

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid?
The IUPAC name of 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid (CID 169116036) is 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid.
What is the SMILES notation for 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid?
The canonical SMILES for 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid is O=C(O)C(CC(F)F)c1cnco1.
What is the InChIKey of 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid?
The InChIKey is IGXFUNIKQZDVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c8-6(9)1-4(7(11)12)5-2-10-3-13-5/h2-4,6H,1H2,(H,11,12).
What are the key properties of 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid?
4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid has a molecular weight of 191.13 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid is sourced from PubChem (CID 169116036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).