methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate

C10H17F2NO3 — CID 82005504

IUPACmethyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
SMILESCNC(COCC(F)F)(C(=O)OC)C1CC1
InChIInChI=1S/C10H17F2NO3/c1-13-10(7-3-4-7,9(14)15-2)6-16-5-8(11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyOZBNPSINDOVQNN-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.81
Rot. Bonds7

About methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate (PubChem CID 82005504) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
PubChem CID82005504
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Namemethyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
SMILESCNC(COCC(F)F)(C(=O)OC)C1CC1
InChIInChI=1S/C10H17F2NO3/c1-13-10(7-3-4-7,9(14)15-2)6-16-5-8(11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyOZBNPSINDOVQNN-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate (CID 82005504) is methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate is CNC(COCC(F)F)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate?
The InChIKey is OZBNPSINDOVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-13-10(7-3-4-7,9(14)15-2)6-16-5-8(11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate has a molecular weight of 237.25 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate is sourced from PubChem (CID 82005504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).