1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine

C15H20F3NO — CID 122202996

IUPAC1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine
SMILESCCOCC1(C(F)(F)F)CCCN1Cc1ccccc1
InChIInChI=1S/C15H20F3NO/c1-2-20-12-14(15(16,17)18)9-6-10-19(14)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKeyQYWQTYZUSFWUTA-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.62
Rot. Bonds5

About 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine

1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine (PubChem CID 122202996) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine
PubChem CID122202996
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine
SMILESCCOCC1(C(F)(F)F)CCCN1Cc1ccccc1
InChIInChI=1S/C15H20F3NO/c1-2-20-12-14(15(16,17)18)9-6-10-19(14)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKeyQYWQTYZUSFWUTA-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyloxazolidine
CID 319258
[(2S)-1-benzylpyrrolidin-2-yl]methanol
CID 719760
Oxazolidine, 3-(1-phenylbutyl)-, hydrochloride
CID 3056418
N-benzyl-3-(trifluoromethyl)oxolan-3-amine
CID 75480518
1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
CID 832718
(1-{[2-(Trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl)methanol
CID 2845337
(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 3156813
[1-[(2-Fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 5100175
4-[Difluoro(phenyl)methyl]morpholine
CID 57486611
(1-Benzylpyrrolidin-2-yl)methanol
CID 562951
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 3156807
(1-Benzyl-2-methylpyrrolidin-2-yl)methanol
CID 56795638

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine (CID 122202996) is 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine is CCOCC1(C(F)(F)F)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine?
The InChIKey is QYWQTYZUSFWUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-20-12-14(15(16,17)18)9-6-10-19(14)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3.
What are the key properties of 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine?
1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine has a molecular weight of 287.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(ethoxymethyl)-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 122202996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).