fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate

C14H25FN2O4 — CID 174517392

IUPACfluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCC(C)CCCC(C)(NC(=O)N1CCOCC1)C(=O)OF
InChIInChI=1S/C14H25FN2O4/c1-11(2)5-4-6-14(3,12(18)21-15)16-13(19)17-7-9-20-10-8-17/h11H,4-10H2,1-3H3,(H,16,19)
InChIKeyXPLBAXATINGKQO-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.04
Rot. Bonds6

About fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate

fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate (PubChem CID 174517392) has the molecular formula C14H25FN2O4 and a molecular weight of 304.36 g/mol. Its IUPAC name is fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate.

Molecular Properties

Compound Namefluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
PubChem CID174517392
Molecular FormulaC14H25FN2O4
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Namefluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCC(C)CCCC(C)(NC(=O)N1CCOCC1)C(=O)OF
InChIInChI=1S/C14H25FN2O4/c1-11(2)5-4-6-14(3,12(18)21-15)16-13(19)17-7-9-20-10-8-17/h11H,4-10H2,1-3H3,(H,16,19)
InChIKeyXPLBAXATINGKQO-UHFFFAOYSA-N
XLogP2.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
The IUPAC name of fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate (CID 174517392) is fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate.
What is the SMILES notation for fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
The canonical SMILES for fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate is CC(C)CCCC(C)(NC(=O)N1CCOCC1)C(=O)OF.
What is the InChIKey of fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
The InChIKey is XPLBAXATINGKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O4/c1-11(2)5-4-6-14(3,12(18)21-15)16-13(19)17-7-9-20-10-8-17/h11H,4-10H2,1-3H3,(H,16,19).
What are the key properties of fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate has a molecular weight of 304.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate is sourced from PubChem (CID 174517392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).