[(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol

C19H20F3NO — CID 68912746

IUPAC[(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)17-8-4-7-15(9-17)18-12-23(11-16(18)13-24)10-14-5-2-1-3-6-14/h1-9,16,18,24H,10-13H2/t16-,18-/m1/s1
InChIKeyYYLMMETVYLRMLX-SJLPKXTDSA-N
MW335.37 g/mol
LogP3.91
Rot. Bonds4

About [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol

[(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol (PubChem CID 68912746) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol
PubChem CID68912746
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name[(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)17-8-4-7-15(9-17)18-12-23(11-16(18)13-24)10-14-5-2-1-3-6-14/h1-9,16,18,24H,10-13H2/t16-,18-/m1/s1
InChIKeyYYLMMETVYLRMLX-SJLPKXTDSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol (CID 68912746) is [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol is OC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol?
The InChIKey is YYLMMETVYLRMLX-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-19(21,22)17-8-4-7-15(9-17)18-12-23(11-16(18)13-24)10-14-5-2-1-3-6-14/h1-9,16,18,24H,10-13H2/t16-,18-/m1/s1.
What are the key properties of [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol?
[(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol has a molecular weight of 335.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 68912746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).