fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate

C13H23FN2O4 — CID 174517407

IUPACfluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCCCCCC(C)(NC(=O)N1CCOCC1)C(=O)OF
InChIInChI=1S/C13H23FN2O4/c1-3-4-5-6-13(2,11(17)20-14)15-12(18)16-7-9-19-10-8-16/h3-10H2,1-2H3,(H,15,18)
InChIKeyOIRMKKKSRDPXBL-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.79
Rot. Bonds6

About fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate

fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate (PubChem CID 174517407) has the molecular formula C13H23FN2O4 and a molecular weight of 290.34 g/mol. Its IUPAC name is fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate.

Molecular Properties

Compound Namefluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate
PubChem CID174517407
Molecular FormulaC13H23FN2O4
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Namefluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCCCCCC(C)(NC(=O)N1CCOCC1)C(=O)OF
InChIInChI=1S/C13H23FN2O4/c1-3-4-5-6-13(2,11(17)20-14)15-12(18)16-7-9-19-10-8-16/h3-10H2,1-2H3,(H,15,18)
InChIKeyOIRMKKKSRDPXBL-UHFFFAOYSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate?
The IUPAC name of fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate (CID 174517407) is fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate.
What is the SMILES notation for fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate?
The canonical SMILES for fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate is CCCCCC(C)(NC(=O)N1CCOCC1)C(=O)OF.
What is the InChIKey of fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate?
The InChIKey is OIRMKKKSRDPXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O4/c1-3-4-5-6-13(2,11(17)20-14)15-12(18)16-7-9-19-10-8-16/h3-10H2,1-2H3,(H,15,18).
What are the key properties of fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate?
fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate has a molecular weight of 290.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate is sourced from PubChem (CID 174517407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).