(2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine

C17H24F3NO — CID 157263515

IUPAC(2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOC[C@H]1CC(c2ccc(C(F)(F)F)cc2)CN1C(C)(C)C
InChIInChI=1S/C17H24F3NO/c1-16(2,3)21-10-13(9-15(21)11-22-4)12-5-7-14(8-6-12)17(18,19)20/h5-8,13,15H,9-11H2,1-4H3/t13?,15-/m1/s1
InChIKeyAXSUCXGHKGSVMM-AWKYBWMHSA-N
MW315.38 g/mol
LogP4.31
Rot. Bonds3

About (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine

(2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 157263515) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID157263515
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name(2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOC[C@H]1CC(c2ccc(C(F)(F)F)cc2)CN1C(C)(C)C
InChIInChI=1S/C17H24F3NO/c1-16(2,3)21-10-13(9-15(21)11-22-4)12-5-7-14(8-6-12)17(18,19)20/h5-8,13,15H,9-11H2,1-4H3/t13?,15-/m1/s1
InChIKeyAXSUCXGHKGSVMM-AWKYBWMHSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 157263515) is (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine is COC[C@H]1CC(c2ccc(C(F)(F)F)cc2)CN1C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is AXSUCXGHKGSVMM-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-16(2,3)21-10-13(9-15(21)11-22-4)12-5-7-14(8-6-12)17(18,19)20/h5-8,13,15H,9-11H2,1-4H3/t13?,15-/m1/s1.
What are the key properties of (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
(2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 315.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butyl-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 157263515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).