(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine

C20H19F6NO — CID 10318976

IUPAC(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
SMILESFC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6NO/c21-19(22,23)16-9-14(10-17(11-16)20(24,25)26)12-28-13-18(7-4-8-27-18)15-5-2-1-3-6-15/h1-3,5-6,9-11,27H,4,7-8,12-13H2/t18-/m0/s1
InChIKeyHOJXDVPSQSRWNU-SFHVURJKSA-N
MW403.37 g/mol
LogP5.52
Rot. Bonds5

About (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine

(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine (PubChem CID 10318976) has the molecular formula C20H19F6NO and a molecular weight of 403.37 g/mol. Its IUPAC name is (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
PubChem CID10318976
Molecular FormulaC20H19F6NO
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC Name(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
SMILESFC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6NO/c21-19(22,23)16-9-14(10-17(11-16)20(24,25)26)12-28-13-18(7-4-8-27-18)15-5-2-1-3-6-15/h1-3,5-6,9-11,27H,4,7-8,12-13H2/t18-/m0/s1
InChIKeyHOJXDVPSQSRWNU-SFHVURJKSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.37
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine?
The IUPAC name of (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine (CID 10318976) is (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine.
What is the SMILES notation for (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine?
The canonical SMILES for (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine is FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCN2)cc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine?
The InChIKey is HOJXDVPSQSRWNU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19F6NO/c21-19(22,23)16-9-14(10-17(11-16)20(24,25)26)12-28-13-18(7-4-8-27-18)15-5-2-1-3-6-15/h1-3,5-6,9-11,27H,4,7-8,12-13H2/t18-/m0/s1.
What are the key properties of (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine?
(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine has a molecular weight of 403.37 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine is sourced from PubChem (CID 10318976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).