2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate

C11H18F3NO2 — CID 67966970

IUPAC2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate
SMILESO=C(OCCNCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15-6-7-17-10(16)9-4-2-1-3-5-9/h9,15H,1-8H2
InChIKeyGFZSGSJVARIYFC-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.26
Rot. Bonds5

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

2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate (PubChem CID 67966970) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate
PubChem CID67966970
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate
SMILESO=C(OCCNCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15-6-7-17-10(16)9-4-2-1-3-5-9/h9,15H,1-8H2
InChIKeyGFZSGSJVARIYFC-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

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 cyclohexanecarboxylate?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate (CID 67966970) is 2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate is O=C(OCCNCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate?
The InChIKey is GFZSGSJVARIYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)8-15-6-7-17-10(16)9-4-2-1-3-5-9/h9,15H,1-8H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate?
2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate 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 2-(2,2,2-trifluoroethylamino)ethyl cyclohexanecarboxylate is sourced from PubChem (CID 67966970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).