4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid

C7H9F2NO4 — CID 103513348

IUPAC4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)C(F)F
InChIInChI=1S/C7H9F2NO4/c8-5(9)6(11)10-1-2-14-3-4(10)7(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyJRLRSBYWMHPELS-UHFFFAOYSA-N
MW209.15 g/mol
LogP-0.44
Rot. Bonds2

About 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid

4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid (PubChem CID 103513348) has the molecular formula C7H9F2NO4 and a molecular weight of 209.15 g/mol. Its IUPAC name is 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid
PubChem CID103513348
Molecular FormulaC7H9F2NO4
Molecular Weight209.15 g/mol
Exact Mass209.05
IUPAC Name4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)C(F)F
InChIInChI=1S/C7H9F2NO4/c8-5(9)6(11)10-1-2-14-3-4(10)7(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyJRLRSBYWMHPELS-UHFFFAOYSA-N
XLogP-0.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid (CID 103513348) is 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)C(F)F.
What is the InChIKey of 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid?
The InChIKey is JRLRSBYWMHPELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO4/c8-5(9)6(11)10-1-2-14-3-4(10)7(12)13/h4-5H,1-3H2,(H,12,13).
What are the key properties of 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid?
4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid has a molecular weight of 209.15 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroacetyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 103513348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).