1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine

C20H28F3NO — CID 69468418

IUPAC1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOCC1CN(C2CCCCC2)CC1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H28F3NO/c1-25-14-17-13-24(19-5-3-2-4-6-19)12-16(17)11-15-7-9-18(10-8-15)20(21,22)23/h7-10,16-17,19H,2-6,11-14H2,1H3
InChIKeyLZJIZBKILRCOLT-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.78
Rot. Bonds5

About 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine

1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 69468418) has the molecular formula C20H28F3NO and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID69468418
Molecular FormulaC20H28F3NO
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Name1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOCC1CN(C2CCCCC2)CC1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H28F3NO/c1-25-14-17-13-24(19-5-3-2-4-6-19)12-16(17)11-15-7-9-18(10-8-15)20(21,22)23/h7-10,16-17,19H,2-6,11-14H2,1H3
InChIKeyLZJIZBKILRCOLT-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 69468418) is 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine is COCC1CN(C2CCCCC2)CC1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is LZJIZBKILRCOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3NO/c1-25-14-17-13-24(19-5-3-2-4-6-19)12-16(17)11-15-7-9-18(10-8-15)20(21,22)23/h7-10,16-17,19H,2-6,11-14H2,1H3.
What are the key properties of 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 355.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 69468418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).