2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate

C11H19F3N2O2 — CID 164640975

IUPAC2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCN(C)CC[C@H]1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-15(2)7-5-9-4-3-6-16(9)10(17)18-8-11(12,13)14/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXMDPFIOWSGBLNR-SECBINFHSA-N
MW268.28 g/mol
LogP2.10
Rot. Bonds4

About 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate

2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate (PubChem CID 164640975) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate
PubChem CID164640975
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCN(C)CC[C@H]1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-15(2)7-5-9-4-3-6-16(9)10(17)18-8-11(12,13)14/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXMDPFIOWSGBLNR-SECBINFHSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate
CID 145913532
2,2,2-trifluoroethyl (2S)-2-cyanopyrrolidine-1-carboxylate
CID 57957878
Butyl 3-fluoro-4-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 67239350
Tert-butyl 2-ethyl-4,4-difluoropyrrolidine-1-carboxylate
CID 68260659
tert-butyl (2S)-2-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxylate
CID 70321665
2,2-Difluoroethyl 2,5-diethylpyrrolidine-1-carboxylate
CID 89002810
2,2,2-trifluoroethyl (2R)-1-cyano-2-methylpyrrolidin-1-ium-1-carboxylate
CID 90758150
Ethyl 4-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]azepane-1-carboxylate
CID 123371074
Ethyl 4-[4-(4,4-difluoro-2-methylpyrrolidin-1-yl)piperidin-1-yl]azepane-1-carboxylate
CID 123533853
Ethyl 4-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]azepane-1-carboxylate
CID 123970015
ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 143547561
2,2,2-Trifluoroethyl 2-tert-butylpyrrolidine-1-carboxylate
CID 155627072

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate (CID 164640975) is 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate is CN(C)CC[C@H]1CCCN1C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is XMDPFIOWSGBLNR-SECBINFHSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-15(2)7-5-9-4-3-6-16(9)10(17)18-8-11(12,13)14/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate?
2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 164640975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).