methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate

C11H18F3NO3 — CID 63918991

IUPACmethyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate
SMILESCCNC(COCC(F)(F)F)(C(=O)OC)C1CC1
InChIInChI=1S/C11H18F3NO3/c1-3-15-10(8-4-5-8,9(16)17-2)6-18-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyWPHBJRDOKSMZKS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.50
Rot. Bonds7

About methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate

methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate (PubChem CID 63918991) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate
PubChem CID63918991
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate
SMILESCCNC(COCC(F)(F)F)(C(=O)OC)C1CC1
InChIInChI=1S/C11H18F3NO3/c1-3-15-10(8-4-5-8,9(16)17-2)6-18-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyWPHBJRDOKSMZKS-UHFFFAOYSA-N
XLogP1.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate (CID 63918991) is methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate is CCNC(COCC(F)(F)F)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate?
The InChIKey is WPHBJRDOKSMZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-3-15-10(8-4-5-8,9(16)17-2)6-18-7-11(12,13)14/h8,15H,3-7H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate?
methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate has a molecular weight of 269.26 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoate is sourced from PubChem (CID 63918991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).