(2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide

C9H15F3N2O — CID 172528815

IUPAC(2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-6(2)13-8(15)14-5-3-4-7(14)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyJSEDWGUSINMRMQ-ZETCQYMHSA-N
MW224.23 g/mol
LogP2.13
Rot. Bonds1

About (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide

(2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 172528815) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID172528815
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name(2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-6(2)13-8(15)14-5-3-4-7(14)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyJSEDWGUSINMRMQ-ZETCQYMHSA-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 (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 172528815) is (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCC[C@H]1C(F)(F)F.
What is the InChIKey of (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is JSEDWGUSINMRMQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6(2)13-8(15)14-5-3-4-7(14)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide?
(2S)-N-propan-2-yl-2-(trifluoromethyl)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 (2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 172528815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).