(2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid

C8H11F2NO4 — CID 102945547

IUPAC(2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCC(F)F)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C8H11F2NO4/c9-6(10)3-11-7(12)4-1-2-5(15-4)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)/t4-,5+/m0/s1
InChIKeyHRNBQWQVTNZUGZ-CRCLSJGQSA-N
MW223.17 g/mol
LogP-0.00
Rot. Bonds4

About (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102945547) has the molecular formula C8H11F2NO4 and a molecular weight of 223.17 g/mol. Its IUPAC name is (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102945547
Molecular FormulaC8H11F2NO4
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC Name(2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCC(F)F)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C8H11F2NO4/c9-6(10)3-11-7(12)4-1-2-5(15-4)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)/t4-,5+/m0/s1
InChIKeyHRNBQWQVTNZUGZ-CRCLSJGQSA-N
XLogP-0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid (CID 102945547) is (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid is O=C(NCC(F)F)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is HRNBQWQVTNZUGZ-CRCLSJGQSA-N. The full InChI is InChI=1S/C8H11F2NO4/c9-6(10)3-11-7(12)4-1-2-5(15-4)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)/t4-,5+/m0/s1.
What are the key properties of (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 223.17 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(2,2-difluoroethylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).