ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate

C8H12F3NO2 — CID 50998646

IUPACethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CCCN1
InChIInChI=1S/C8H12F3NO2/c1-2-14-6(13)7(8(9,10)11)4-3-5-12-7/h12H,2-5H2,1H3
InChIKeyIFLJOJOIEIPTOY-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds2

About ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate

ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate (PubChem CID 50998646) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate
PubChem CID50998646
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Nameethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CCCN1
InChIInChI=1S/C8H12F3NO2/c1-2-14-6(13)7(8(9,10)11)4-3-5-12-7/h12H,2-5H2,1H3
InChIKeyIFLJOJOIEIPTOY-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate (CID 50998646) is ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate is CCOC(=O)C1(C(F)(F)F)CCCN1.
What is the InChIKey of ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate?
The InChIKey is IFLJOJOIEIPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-2-14-6(13)7(8(9,10)11)4-3-5-12-7/h12H,2-5H2,1H3.
What are the key properties of ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate?
ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate has a molecular weight of 211.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 50998646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).