2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid

C7H12FNO3 — CID 67249892

IUPAC2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid
SMILESCC1CN(C(=O)O)CC(C)(F)O1
InChIInChI=1S/C7H12FNO3/c1-5-3-9(6(10)11)4-7(2,8)12-5/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyIKYJNVMFKQHPDD-UHFFFAOYSA-N
MW177.17 g/mol
LogP1.07
Rot. Bonds

About 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid

2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid (PubChem CID 67249892) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid
PubChem CID67249892
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid
SMILESCC1CN(C(=O)O)CC(C)(F)O1
InChIInChI=1S/C7H12FNO3/c1-5-3-9(6(10)11)4-7(2,8)12-5/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyIKYJNVMFKQHPDD-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid?
The IUPAC name of 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid (CID 67249892) is 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid.
What is the SMILES notation for 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid?
The canonical SMILES for 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid is CC1CN(C(=O)O)CC(C)(F)O1.
What is the InChIKey of 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid?
The InChIKey is IKYJNVMFKQHPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c1-5-3-9(6(10)11)4-7(2,8)12-5/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid?
2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid has a molecular weight of 177.17 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,6-dimethylmorpholine-4-carboxylic acid is sourced from PubChem (CID 67249892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).