(2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C9H13F3N2O2 — CID 156532266

IUPAC(2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-6(15)14-4-2-3-7(14)8(16)13-5-9(10,11)12/h7H,2-5H2,1H3,(H,13,16)/t7-/m0/s1
InChIKeyBEKBGHIUPFHLCX-ZETCQYMHSA-N
MW238.21 g/mol
LogP0.68
Rot. Bonds2

About (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 156532266) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID156532266
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name(2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-6(15)14-4-2-3-7(14)8(16)13-5-9(10,11)12/h7H,2-5H2,1H3,(H,13,16)/t7-/m0/s1
InChIKeyBEKBGHIUPFHLCX-ZETCQYMHSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 156532266) is (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is BEKBGHIUPFHLCX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-6(15)14-4-2-3-7(14)8(16)13-5-9(10,11)12/h7H,2-5H2,1H3,(H,13,16)/t7-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 238.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 156532266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).