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

C11H16F3NO4 — CID 102945549

IUPAC(2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCCCCC(F)(F)F)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)5-1-2-6-15-9(16)7-3-4-8(19-7)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)/t7-,8+/m0/s1
InChIKeyYCJYIQVTDUDENB-JGVFFNPUSA-N
MW283.25 g/mol
LogP1.47
Rot. Bonds6

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

(2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102945549) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is (2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102945549
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name(2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCCCCC(F)(F)F)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)5-1-2-6-15-9(16)7-3-4-8(19-7)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)/t7-,8+/m0/s1
InChIKeyYCJYIQVTDUDENB-JGVFFNPUSA-N
XLogP1.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid (CID 102945549) is (2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid is O=C(NCCCCC(F)(F)F)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is YCJYIQVTDUDENB-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)5-1-2-6-15-9(16)7-3-4-8(19-7)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).