4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid

C8H12F2N2O4 — CID 115408071

IUPAC4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCC(F)F)CCO1
InChIInChI=1S/C8H12F2N2O4/c9-6(10)3-11-8(15)12-1-2-16-5(4-12)7(13)14/h5-6H,1-4H2,(H,11,15)(H,13,14)
InChIKeyKDQHPYTXCDPDRT-UHFFFAOYSA-N
MW238.19 g/mol
LogP-0.25
Rot. Bonds3

About 4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid

4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid (PubChem CID 115408071) has the molecular formula C8H12F2N2O4 and a molecular weight of 238.19 g/mol. Its IUPAC name is 4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid
PubChem CID115408071
Molecular FormulaC8H12F2N2O4
Molecular Weight238.19 g/mol
Exact Mass238.08
IUPAC Name4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCC(F)F)CCO1
InChIInChI=1S/C8H12F2N2O4/c9-6(10)3-11-8(15)12-1-2-16-5(4-12)7(13)14/h5-6H,1-4H2,(H,11,15)(H,13,14)
InChIKeyKDQHPYTXCDPDRT-UHFFFAOYSA-N
XLogP-0.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-0.25
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)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid (CID 115408071) is 4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)NCC(F)F)CCO1.
What is the InChIKey of 4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid?
The InChIKey is KDQHPYTXCDPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O4/c9-6(10)3-11-8(15)12-1-2-16-5(4-12)7(13)14/h5-6H,1-4H2,(H,11,15)(H,13,14).
What are the key properties of 4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid?
4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid has a molecular weight of 238.19 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylcarbamoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 115408071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).