N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H21F3N2O2 — CID 65106680

IUPACN-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-3-10(19,4-2)7-17-9(18)11(12(13,14)15)5-6-16-8-11/h16,19H,3-8H2,1-2H3,(H,17,18)
InChIKeyUJAWOTKLPXYZIR-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.20
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 65106680) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID65106680
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-3-10(19,4-2)7-17-9(18)11(12(13,14)15)5-6-16-8-11/h16,19H,3-8H2,1-2H3,(H,17,18)
InChIKeyUJAWOTKLPXYZIR-UHFFFAOYSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 65106680) is N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCC(O)(CC)CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UJAWOTKLPXYZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-10(19,4-2)7-17-9(18)11(12(13,14)15)5-6-16-8-11/h16,19H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 65106680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).