4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid

C10H16F2N2O4 — CID 115408004

IUPAC4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCC(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H16F2N2O4/c1-2-14(10(17)13-3-8(11)12)7-5-18-4-6(7)9(15)16/h6-8H,2-5H2,1H3,(H,13,17)(H,15,16)
InChIKeySGOHBRBSIGNAOX-UHFFFAOYSA-N
MW266.24 g/mol
LogP0.38
Rot. Bonds5

About 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid

4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid (PubChem CID 115408004) has the molecular formula C10H16F2N2O4 and a molecular weight of 266.24 g/mol. Its IUPAC name is 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid
PubChem CID115408004
Molecular FormulaC10H16F2N2O4
Molecular Weight266.24 g/mol
Exact Mass266.11
IUPAC Name4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCC(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H16F2N2O4/c1-2-14(10(17)13-3-8(11)12)7-5-18-4-6(7)9(15)16/h6-8H,2-5H2,1H3,(H,13,17)(H,15,16)
InChIKeySGOHBRBSIGNAOX-UHFFFAOYSA-N
XLogP0.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid (CID 115408004) is 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)NCC(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SGOHBRBSIGNAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O4/c1-2-14(10(17)13-3-8(11)12)7-5-18-4-6(7)9(15)16/h6-8H,2-5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid?
4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 266.24 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115408004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).