(2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine

C19H28F3NO — CID 166596224

IUPAC(2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine
SMILESCOC[C@H]1CCCN1[C@H](C)CC(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H28F3NO/c1-14(23-11-5-6-17(23)13-24-4)12-18(2,3)15-7-9-16(10-8-15)19(20,21)22/h7-10,14,17H,5-6,11-13H2,1-4H3/t14-,17-/m1/s1
InChIKeyAERDIRKWRPQFSQ-RHSMWYFYSA-N
MW343.43 g/mol
LogP4.87
Rot. Bonds6

About (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine

(2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine (PubChem CID 166596224) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine
PubChem CID166596224
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name(2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine
SMILESCOC[C@H]1CCCN1[C@H](C)CC(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H28F3NO/c1-14(23-11-5-6-17(23)13-24-4)12-18(2,3)15-7-9-16(10-8-15)19(20,21)22/h7-10,14,17H,5-6,11-13H2,1-4H3/t14-,17-/m1/s1
InChIKeyAERDIRKWRPQFSQ-RHSMWYFYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine?
The IUPAC name of (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine (CID 166596224) is (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine?
The canonical SMILES for (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine is COC[C@H]1CCCN1[C@H](C)CC(C)(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine?
The InChIKey is AERDIRKWRPQFSQ-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-14(23-11-5-6-17(23)13-24-4)12-18(2,3)15-7-9-16(10-8-15)19(20,21)22/h7-10,14,17H,5-6,11-13H2,1-4H3/t14-,17-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine?
(2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine has a molecular weight of 343.43 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-1-[(2R)-4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]pyrrolidine is sourced from PubChem (CID 166596224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).