3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate

C16H32F2N2O4 — CID 143054577

IUPAC3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate
SMILESCC.CCCC(F)(F)CC.COC(=O)CNC(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O4.C6H12F2.C2H6/c1-13-7(11)6-9-8(12)10-2-4-14-5-3-10;1-3-5-6(7,8)4-2;1-2/h2-6H2,1H3,(H,9,12);3-5H2,1-2H3;1-2H3
InChIKeyAKTGPMAQUXRGKH-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.06
Rot. Bonds5

About 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate

3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate (PubChem CID 143054577) has the molecular formula C16H32F2N2O4 and a molecular weight of 354.44 g/mol. Its IUPAC name is 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate.

Molecular Properties

Compound Name3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate
PubChem CID143054577
Molecular FormulaC16H32F2N2O4
Molecular Weight354.44 g/mol
Exact Mass354.23
IUPAC Name3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate
SMILESCC.CCCC(F)(F)CC.COC(=O)CNC(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O4.C6H12F2.C2H6/c1-13-7(11)6-9-8(12)10-2-4-14-5-3-10;1-3-5-6(7,8)4-2;1-2/h2-6H2,1H3,(H,9,12);3-5H2,1-2H3;1-2H3
InChIKeyAKTGPMAQUXRGKH-UHFFFAOYSA-N
XLogP3.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate?
The IUPAC name of 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate (CID 143054577) is 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate.
What is the SMILES notation for 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate?
The canonical SMILES for 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate is CC.CCCC(F)(F)CC.COC(=O)CNC(=O)N1CCOCC1.
What is the InChIKey of 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate?
The InChIKey is AKTGPMAQUXRGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4.C6H12F2.C2H6/c1-13-7(11)6-9-8(12)10-2-4-14-5-3-10;1-3-5-6(7,8)4-2;1-2/h2-6H2,1H3,(H,9,12);3-5H2,1-2H3;1-2H3.
What are the key properties of 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate?
3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate has a molecular weight of 354.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate is sourced from PubChem (CID 143054577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).