N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H16F6N2O — CID 63710571

IUPACN-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H16F6N2O/c1-2-5-19(7-10(12,13)14)8(20)9(11(15,16)17)3-4-18-6-9/h18H,2-7H2,1H3
InChIKeyWJEJDQCJEFQOTD-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.33
Rot. Bonds4

About N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710571) has the molecular formula C11H16F6N2O and a molecular weight of 306.25 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710571
Molecular FormulaC11H16F6N2O
Molecular Weight306.25 g/mol
Exact Mass306.12
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H16F6N2O/c1-2-5-19(7-10(12,13)14)8(20)9(11(15,16)17)3-4-18-6-9/h18H,2-7H2,1H3
InChIKeyWJEJDQCJEFQOTD-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710571) is N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is WJEJDQCJEFQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O/c1-2-5-19(7-10(12,13)14)8(20)9(11(15,16)17)3-4-18-6-9/h18H,2-7H2,1H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 306.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).