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

C8H12F3NO2 — CID 95212009

IUPACethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@]1(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/t7-/m1/s1
InChIKeyIFLJOJOIEIPTOY-SSDOTTSWSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds2

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

ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate (PubChem CID 95212009) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate
PubChem CID95212009
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Nameethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@]1(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/t7-/m1/s1
InChIKeyIFLJOJOIEIPTOY-SSDOTTSWSA-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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Related Compounds

methyl (2S)-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 57516455
methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate
CID 45082563
(2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 15953693
Ethyl 3,3-difluoropyrrolidine-2-carboxylate hydrochloride
CID 137698821
Methyl 2-methylpyrrolidine-2-carboxylate
CID 13595679
Tert-butyl 2-methylpyrrolidine-2-carboxylate
CID 13822996
Ethyl 2-ethylpyrrolidine-2-carboxylate
CID 58405851
D-Proline, 4,4-difluoro-, methyl ester
CID 59254339
methyl (2R)-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 71306205
(S)-Methyl 4,4-difluoropyrrolidine-2-carboxylate hydrochloride
CID 72207956
Methyl 2-methylpyrrolidine-2-carboxylate hydrochloride
CID 75366841
4,4-Difluoro-2-methylpyrrolidine-2-carboxylic acid hydrochloride
CID 137919896

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate (CID 95212009) is ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate is CCOC(=O)[C@@]1(C(F)(F)F)CCCN1.
What is the InChIKey of ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate?
The InChIKey is IFLJOJOIEIPTOY-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate?
ethyl (2R)-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 (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 95212009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).