3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one

C11H18F2N2O3 — CID 106493081

IUPAC3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one
SMILESCNCC1CN(CC2CC(F)(F)C(=O)O2)CCO1
InChIInChI=1S/C11H18F2N2O3/c1-14-5-9-7-15(2-3-17-9)6-8-4-11(12,13)10(16)18-8/h8-9,14H,2-7H2,1H3
InChIKeyMDNJISALIICHKF-UHFFFAOYSA-N
MW264.27 g/mol
LogP-0.14
Rot. Bonds4

About 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one

3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one (PubChem CID 106493081) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one
PubChem CID106493081
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one
SMILESCNCC1CN(CC2CC(F)(F)C(=O)O2)CCO1
InChIInChI=1S/C11H18F2N2O3/c1-14-5-9-7-15(2-3-17-9)6-8-4-11(12,13)10(16)18-8/h8-9,14H,2-7H2,1H3
InChIKeyMDNJISALIICHKF-UHFFFAOYSA-N
XLogP-0.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one (CID 106493081) is 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one is CNCC1CN(CC2CC(F)(F)C(=O)O2)CCO1.
What is the InChIKey of 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one?
The InChIKey is MDNJISALIICHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-14-5-9-7-15(2-3-17-9)6-8-4-11(12,13)10(16)18-8/h8-9,14H,2-7H2,1H3.
What are the key properties of 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one?
3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one has a molecular weight of 264.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[2-(methylaminomethyl)morpholin-4-yl]methyl]oxolan-2-one is sourced from PubChem (CID 106493081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).