N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide

C10H15F5N2O — CID 71046487

IUPACN-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(F)(F)C(C)(NC(=O)N1CCCC1)C(F)(F)F
InChIInChI=1S/C10H15F5N2O/c1-8(9(2,11)12,10(13,14)15)16-7(18)17-5-3-4-6-17/h3-6H2,1-2H3,(H,16,18)
InChIKeyXPLMVZANBAYZRE-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.77
Rot. Bonds2

About N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide

N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 71046487) has the molecular formula C10H15F5N2O and a molecular weight of 274.23 g/mol. Its IUPAC name is N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide
PubChem CID71046487
Molecular FormulaC10H15F5N2O
Molecular Weight274.23 g/mol
Exact Mass274.11
IUPAC NameN-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(F)(F)C(C)(NC(=O)N1CCCC1)C(F)(F)F
InChIInChI=1S/C10H15F5N2O/c1-8(9(2,11)12,10(13,14)15)16-7(18)17-5-3-4-6-17/h3-6H2,1-2H3,(H,16,18)
InChIKeyXPLMVZANBAYZRE-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)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-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide (CID 71046487) is N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide is CC(F)(F)C(C)(NC(=O)N1CCCC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is XPLMVZANBAYZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5N2O/c1-8(9(2,11)12,10(13,14)15)16-7(18)17-5-3-4-6-17/h3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide?
N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 274.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71046487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).