N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide

C12H18F6N2O — CID 91648321

IUPACN-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCCN(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C
InChIInChI=1S/C12H18F6N2O/c1-4-20(8(2)3)9(21)19-6-5-10(7-19,11(13,14)15)12(16,17)18/h8H,4-7H2,1-3H3
InChIKeyULPTZVMDONTIFH-UHFFFAOYSA-N
MW320.28 g/mol
LogP3.65
Rot. Bonds2

About N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide

N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 91648321) has the molecular formula C12H18F6N2O and a molecular weight of 320.28 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID91648321
Molecular FormulaC12H18F6N2O
Molecular Weight320.28 g/mol
Exact Mass320.13
IUPAC NameN-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCCN(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C
InChIInChI=1S/C12H18F6N2O/c1-4-20(8(2)3)9(21)19-6-5-10(7-19,11(13,14)15)12(16,17)18/h8H,4-7H2,1-3H3
InChIKeyULPTZVMDONTIFH-UHFFFAOYSA-N
XLogP3.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide (CID 91648321) is N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide is CCN(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is ULPTZVMDONTIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O/c1-4-20(8(2)3)9(21)19-6-5-10(7-19,11(13,14)15)12(16,17)18/h8H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide?
N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 320.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91648321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).