(1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol

C21H20F3NO — CID 118689237

IUPAC(1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESO[C@@H](c1ccccc1)[C@@H](CNCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C21H20F3NO/c22-21(23,24)14-25-13-19(20(26)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19-20,25-26H,13-14H2/t19-,20-/m0/s1
InChIKeyRTTMKIMTPSKLAT-PMACEKPBSA-N
MW359.39 g/mol
LogP4.81
Rot. Bonds6

About (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol

(1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 118689237) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID118689237
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name(1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESO[C@@H](c1ccccc1)[C@@H](CNCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C21H20F3NO/c22-21(23,24)14-25-13-19(20(26)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19-20,25-26H,13-14H2/t19-,20-/m0/s1
InChIKeyRTTMKIMTPSKLAT-PMACEKPBSA-N
XLogP4.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol (CID 118689237) is (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol is O[C@@H](c1ccccc1)[C@@H](CNCC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is RTTMKIMTPSKLAT-PMACEKPBSA-N. The full InChI is InChI=1S/C21H20F3NO/c22-21(23,24)14-25-13-19(20(26)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19-20,25-26H,13-14H2/t19-,20-/m0/s1.
What are the key properties of (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol?
(1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 359.39 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 118689237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).