4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine

C17H23F3N2O — CID 122202999

IUPAC4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine
SMILESFC(F)(F)C1(CN2CCOCC2)CCCN1Cc1ccccc1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)16(14-21-9-11-23-12-10-21)7-4-8-22(16)13-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2
InChIKeyPTPTVEDDZLTRDM-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.92
Rot. Bonds4

About 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine

4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine (PubChem CID 122202999) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine
PubChem CID122202999
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine
SMILESFC(F)(F)C1(CN2CCOCC2)CCCN1Cc1ccccc1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)16(14-21-9-11-23-12-10-21)7-4-8-22(16)13-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2
InChIKeyPTPTVEDDZLTRDM-UHFFFAOYSA-N
XLogP2.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
dilithium;4-benzylmorpholine;sulfite
CID 160525639
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
CID 97435614
methane;4-(2-phenylethyl)morpholine
CID 143698819
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270720
(2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine
CID 53309010
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 53403180
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111

Frequently Asked Questions

What is the IUPAC name of 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine (CID 122202999) is 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine is FC(F)(F)C1(CN2CCOCC2)CCCN1Cc1ccccc1.
What is the InChIKey of 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is PTPTVEDDZLTRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)16(14-21-9-11-23-12-10-21)7-4-8-22(16)13-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2.
What are the key properties of 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine?
4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 328.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 122202999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).