4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid

C8H10F3NO4 — CID 66222908

IUPAC4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid
SMILESO=C(CC(F)(F)F)NC1COCC1C(=O)O
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)1-6(13)12-5-3-16-2-4(5)7(14)15/h4-5H,1-3H2,(H,12,13)(H,14,15)
InChIKeyHQVACGSIGFNOFI-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.15
Rot. Bonds3

About 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid

4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid (PubChem CID 66222908) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid
PubChem CID66222908
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid
SMILESO=C(CC(F)(F)F)NC1COCC1C(=O)O
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)1-6(13)12-5-3-16-2-4(5)7(14)15/h4-5H,1-3H2,(H,12,13)(H,14,15)
InChIKeyHQVACGSIGFNOFI-UHFFFAOYSA-N
XLogP0.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid (CID 66222908) is 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid is O=C(CC(F)(F)F)NC1COCC1C(=O)O.
What is the InChIKey of 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid?
The InChIKey is HQVACGSIGFNOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)1-6(13)12-5-3-16-2-4(5)7(14)15/h4-5H,1-3H2,(H,12,13)(H,14,15).
What are the key properties of 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid?
4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid has a molecular weight of 241.16 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropanoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66222908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).