(2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol

C18H17F3O2 — CID 139042591

IUPAC(2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol
SMILESO[C@@]1(C(F)(F)F)C[C@H](c2ccccc2)[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H17F3O2/c19-18(20,21)17(22)11-15(13-7-3-1-4-8-13)16(12-23-17)14-9-5-2-6-10-14/h1-10,15-16,22H,11-12H2/t15-,16+,17+/m1/s1
InChIKeyOREJRHILZKJGOP-IKGGRYGDSA-N
MW322.33 g/mol
LogP4.23
Rot. Bonds2

About (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol

(2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol (PubChem CID 139042591) has the molecular formula C18H17F3O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name(2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol
PubChem CID139042591
Molecular FormulaC18H17F3O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name(2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol
SMILESO[C@@]1(C(F)(F)F)C[C@H](c2ccccc2)[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H17F3O2/c19-18(20,21)17(22)11-15(13-7-3-1-4-8-13)16(12-23-17)14-9-5-2-6-10-14/h1-10,15-16,22H,11-12H2/t15-,16+,17+/m1/s1
InChIKeyOREJRHILZKJGOP-IKGGRYGDSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol?
The IUPAC name of (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol (CID 139042591) is (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol?
The canonical SMILES for (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol is O[C@@]1(C(F)(F)F)C[C@H](c2ccccc2)[C@H](c2ccccc2)CO1.
What is the InChIKey of (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol?
The InChIKey is OREJRHILZKJGOP-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H17F3O2/c19-18(20,21)17(22)11-15(13-7-3-1-4-8-13)16(12-23-17)14-9-5-2-6-10-14/h1-10,15-16,22H,11-12H2/t15-,16+,17+/m1/s1.
What are the key properties of (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol?
(2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol has a molecular weight of 322.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-4,5-diphenyl-2-(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 139042591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).