N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C12H21F3N2O — CID 63143973

IUPACN-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C12H21F3N2O/c1-3-4-7-17(9-12(13,14)15)10(18)11(2)5-6-16-8-11/h16H,3-9H2,1-2H3
InChIKeyDXJBXOHUYALRQO-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds5

About N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63143973) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63143973
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C12H21F3N2O/c1-3-4-7-17(9-12(13,14)15)10(18)11(2)5-6-16-8-11/h16H,3-9H2,1-2H3
InChIKeyDXJBXOHUYALRQO-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63143973) is N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1(C)CCNC1.
What is the InChIKey of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is DXJBXOHUYALRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-3-4-7-17(9-12(13,14)15)10(18)11(2)5-6-16-8-11/h16H,3-9H2,1-2H3.
What are the key properties of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63143973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).