methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate

C9H14F3NO2 — CID 60997287

IUPACmethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate
SMILESCOC(=O)C(C)(NCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO2/c1-8(6-3-4-6,7(14)15-2)13-5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyOTIWPPGBIIOLBB-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.48
Rot. Bonds4

About methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate

methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate (PubChem CID 60997287) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate
PubChem CID60997287
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Namemethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate
SMILESCOC(=O)C(C)(NCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO2/c1-8(6-3-4-6,7(14)15-2)13-5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyOTIWPPGBIIOLBB-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate (CID 60997287) is methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate is COC(=O)C(C)(NCC(F)(F)F)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate?
The InChIKey is OTIWPPGBIIOLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(6-3-4-6,7(14)15-2)13-5-9(10,11)12/h6,13H,3-5H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate?
methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate has a molecular weight of 225.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanoate is sourced from PubChem (CID 60997287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).