(2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine

C14H18F3NO — CID 86679127

IUPAC(2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine
SMILESFC(F)(F)COC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-19-10-13-7-4-8-18(13)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1
InChIKeyZUGIXKMFXGMVPW-ZDUSSCGKSA-N
MW273.30 g/mol
LogP3.23
Rot. Bonds5

About (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine

(2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine (PubChem CID 86679127) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine
PubChem CID86679127
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine
SMILESFC(F)(F)COC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-19-10-13-7-4-8-18(13)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1
InChIKeyZUGIXKMFXGMVPW-ZDUSSCGKSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine (CID 86679127) is (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine is FC(F)(F)COC[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine?
The InChIKey is ZUGIXKMFXGMVPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)11-19-10-13-7-4-8-18(13)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1.
What are the key properties of (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine?
(2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine has a molecular weight of 273.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-(2,2,2-trifluoroethoxymethyl)pyrrolidine is sourced from PubChem (CID 86679127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).