N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H19F3N2O — CID 55227263

IUPACN-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O/c1-3-4-8(2)16-9(17)10(11(12,13)14)5-6-15-7-10/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyQYEZGMDLZFVRPD-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds4

About N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227263) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227263
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O/c1-3-4-8(2)16-9(17)10(11(12,13)14)5-6-15-7-10/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyQYEZGMDLZFVRPD-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227263) is N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCCC(C)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QYEZGMDLZFVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-3-4-8(2)16-9(17)10(11(12,13)14)5-6-15-7-10/h8,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).