N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C12H21F3N2O2 — CID 106980209

IUPACN-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(CCO)CC(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)11(3-4-16-7-11)10(19)17(5-6-18)8-12(13,14)15/h9,16,18H,3-8H2,1-2H3
InChIKeyTXRDNXUSZSIUGG-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.01
Rot. Bonds5

About N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 106980209) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID106980209
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(CCO)CC(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)11(3-4-16-7-11)10(19)17(5-6-18)8-12(13,14)15/h9,16,18H,3-8H2,1-2H3
InChIKeyTXRDNXUSZSIUGG-UHFFFAOYSA-N
XLogP1.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 106980209) is N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(C)C1(C(=O)N(CCO)CC(F)(F)F)CCNC1.
What is the InChIKey of N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is TXRDNXUSZSIUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(2)11(3-4-16-7-11)10(19)17(5-6-18)8-12(13,14)15/h9,16,18H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106980209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).