2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate

C10H16F3NO2 — CID 67966969

IUPAC2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate
SMILESO=C(OCCNCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-14-5-6-16-9(15)8-3-1-2-4-8/h8,14H,1-7H2
InChIKeyPBFQLWZNCIUQQE-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds5

About 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate

2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate (PubChem CID 67966969) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate
PubChem CID67966969
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate
SMILESO=C(OCCNCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-14-5-6-16-9(15)8-3-1-2-4-8/h8,14H,1-7H2
InChIKeyPBFQLWZNCIUQQE-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate (CID 67966969) is 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate is O=C(OCCNCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate?
The InChIKey is PBFQLWZNCIUQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7-14-5-6-16-9(15)8-3-1-2-4-8/h8,14H,1-7H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate?
2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate has a molecular weight of 239.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)ethyl cyclopentanecarboxylate is sourced from PubChem (CID 67966969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).