(2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol

C22H19F3O2 — CID 139042590

IUPAC(2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol
SMILESO[C@]1(C(F)(F)F)C[C@@H](c2ccccc2)[C@H](c2ccc3ccccc3c2)CO1
InChIInChI=1S/C22H19F3O2/c23-22(24,25)21(26)13-19(16-7-2-1-3-8-16)20(14-27-21)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19-20,26H,13-14H2/t19-,20-,21+/m0/s1
InChIKeyDWRZFVAEFCUZTE-PCCBWWKXSA-N
MW372.39 g/mol
LogP5.38
Rot. Bonds2

About (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol

(2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol (PubChem CID 139042590) has the molecular formula C22H19F3O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name(2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol
PubChem CID139042590
Molecular FormulaC22H19F3O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name(2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol
SMILESO[C@]1(C(F)(F)F)C[C@@H](c2ccccc2)[C@H](c2ccc3ccccc3c2)CO1
InChIInChI=1S/C22H19F3O2/c23-22(24,25)21(26)13-19(16-7-2-1-3-8-16)20(14-27-21)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19-20,26H,13-14H2/t19-,20-,21+/m0/s1
InChIKeyDWRZFVAEFCUZTE-PCCBWWKXSA-N
XLogP5.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol?
The IUPAC name of (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol (CID 139042590) is (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol?
The canonical SMILES for (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol is O[C@]1(C(F)(F)F)C[C@@H](c2ccccc2)[C@H](c2ccc3ccccc3c2)CO1.
What is the InChIKey of (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol?
The InChIKey is DWRZFVAEFCUZTE-PCCBWWKXSA-N. The full InChI is InChI=1S/C22H19F3O2/c23-22(24,25)21(26)13-19(16-7-2-1-3-8-16)20(14-27-21)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19-20,26H,13-14H2/t19-,20-,21+/m0/s1.
What are the key properties of (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol?
(2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol has a molecular weight of 372.39 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 139042590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).