[(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol

C11H12F3NO — CID 67464474

IUPAC[(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CC[C@@H](c2c(F)cc(F)cc2F)N1
InChIInChI=1S/C11H12F3NO/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-16)15-10/h3-4,7,10,15-16H,1-2,5H2/t7-,10+/m1/s1
InChIKeyYQFPJIHEMHOHNM-XCBNKYQSSA-N
MW231.22 g/mol
LogP1.89
Rot. Bonds2

About [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol

[(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol (PubChem CID 67464474) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol
PubChem CID67464474
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name[(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CC[C@@H](c2c(F)cc(F)cc2F)N1
InChIInChI=1S/C11H12F3NO/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-16)15-10/h3-4,7,10,15-16H,1-2,5H2/t7-,10+/m1/s1
InChIKeyYQFPJIHEMHOHNM-XCBNKYQSSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol (CID 67464474) is [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol is OC[C@H]1CC[C@@H](c2c(F)cc(F)cc2F)N1.
What is the InChIKey of [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is YQFPJIHEMHOHNM-XCBNKYQSSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-16)15-10/h3-4,7,10,15-16H,1-2,5H2/t7-,10+/m1/s1.
What are the key properties of [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol?
[(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 231.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 67464474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).