(2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide

C9H15F3N2O2 — CID 111509213

IUPAC(2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCC(F)(F)F)N1CCC[C@H]1CO
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)3-4-13-8(16)14-5-1-2-7(14)6-15/h7,15H,1-6H2,(H,13,16)/t7-/m0/s1
InChIKeyLQWIAGPZKDEVAM-ZETCQYMHSA-N
MW240.22 g/mol
LogP1.11
Rot. Bonds3

About (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide (PubChem CID 111509213) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide
PubChem CID111509213
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name(2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCC(F)(F)F)N1CCC[C@H]1CO
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)3-4-13-8(16)14-5-1-2-7(14)6-15/h7,15H,1-6H2,(H,13,16)/t7-/m0/s1
InChIKeyLQWIAGPZKDEVAM-ZETCQYMHSA-N
XLogP1.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide (CID 111509213) is (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide is O=C(NCCC(F)(F)F)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide?
The InChIKey is LQWIAGPZKDEVAM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)3-4-13-8(16)14-5-1-2-7(14)6-15/h7,15H,1-6H2,(H,13,16)/t7-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111509213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).