ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate

C11H18F3NO2 — CID 55035238

IUPACethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H18F3NO2/c1-2-17-10(16)9(8-5-3-4-6-8)15-7-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyZWKYPJMAYPFCFL-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.26
Rot. Bonds5

About ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate

ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 55035238) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID55035238
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H18F3NO2/c1-2-17-10(16)9(8-5-3-4-6-8)15-7-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyZWKYPJMAYPFCFL-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate (CID 55035238) is ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate is CCOC(=O)C(NCC(F)(F)F)C1CCCC1.
What is the InChIKey of ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is ZWKYPJMAYPFCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-17-10(16)9(8-5-3-4-6-8)15-7-11(12,13)14/h8-9,15H,2-7H2,1H3.
What are the key properties of ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate?
ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 253.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 55035238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).