N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide

C9H15F3N2O — CID 123644110

IUPACN-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(NC(=O)N1CCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-8(2,9(10,11)12)13-7(15)14-5-3-4-6-14/h3-6H2,1-2H3,(H,13,15)
InChIKeyOFGYUBCSBOKXTI-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.13
Rot. Bonds1

About N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide

N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 123644110) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID123644110
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(NC(=O)N1CCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-8(2,9(10,11)12)13-7(15)14-5-3-4-6-14/h3-6H2,1-2H3,(H,13,15)
InChIKeyOFGYUBCSBOKXTI-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide (CID 123644110) is N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide is CC(C)(NC(=O)N1CCCC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is OFGYUBCSBOKXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-8(2,9(10,11)12)13-7(15)14-5-3-4-6-14/h3-6H2,1-2H3,(H,13,15).
What are the key properties of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide?
N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 123644110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).