methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate

C8H13F2NO3 — CID 170771452

IUPACmethyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate
SMILESCOC(=O)C1COCC1NCC(F)F
InChIInChI=1S/C8H13F2NO3/c1-13-8(12)5-3-14-4-6(5)11-2-7(9)10/h5-7,11H,2-4H2,1H3
InChIKeyMJPMZCWJECYCLF-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.03
Rot. Bonds4

About methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate

methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate (PubChem CID 170771452) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate
PubChem CID170771452
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Namemethyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate
SMILESCOC(=O)C1COCC1NCC(F)F
InChIInChI=1S/C8H13F2NO3/c1-13-8(12)5-3-14-4-6(5)11-2-7(9)10/h5-7,11H,2-4H2,1H3
InChIKeyMJPMZCWJECYCLF-UHFFFAOYSA-N
XLogP0.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate?
The IUPAC name of methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate (CID 170771452) is methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate.
What is the SMILES notation for methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate?
The canonical SMILES for methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate is COC(=O)C1COCC1NCC(F)F.
What is the InChIKey of methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate?
The InChIKey is MJPMZCWJECYCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-13-8(12)5-3-14-4-6(5)11-2-7(9)10/h5-7,11H,2-4H2,1H3.
What are the key properties of methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate?
methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate has a molecular weight of 209.19 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate is sourced from PubChem (CID 170771452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).