(2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol

C20H21F3O4 — CID 67569911

IUPAC(2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol
SMILESO[C@@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](C(F)(F)F)O1
InChIInChI=1S/C20H21F3O4/c21-20(22,23)19-18(26-13-15-9-5-2-6-10-15)16(11-17(24)27-19)25-12-14-7-3-1-4-8-14/h1-10,16-19,24H,11-13H2/t16-,17+,18-,19+/m1/s1
InChIKeyFSNUYFLNBAKQHH-HCXYKTFWSA-N
MW382.38 g/mol
LogP3.83
Rot. Bonds6

About (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol

(2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol (PubChem CID 67569911) has the molecular formula C20H21F3O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name(2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol
PubChem CID67569911
Molecular FormulaC20H21F3O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC Name(2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol
SMILESO[C@@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](C(F)(F)F)O1
InChIInChI=1S/C20H21F3O4/c21-20(22,23)19-18(26-13-15-9-5-2-6-10-15)16(11-17(24)27-19)25-12-14-7-3-1-4-8-14/h1-10,16-19,24H,11-13H2/t16-,17+,18-,19+/m1/s1
InChIKeyFSNUYFLNBAKQHH-HCXYKTFWSA-N
XLogP3.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol with MolForge

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Related Compounds

[(2R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-yl] acetate
CID 23240451
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 10042151
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
[(2R,3R,4R)-6-hydroxy-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 14768720
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
4-amino-5-phenylmethoxyoxolan-2-ol
CID 163839352
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
(4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol
CID 101390620
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol?
The IUPAC name of (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol (CID 67569911) is (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol?
The canonical SMILES for (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol is O[C@@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](C(F)(F)F)O1.
What is the InChIKey of (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol?
The InChIKey is FSNUYFLNBAKQHH-HCXYKTFWSA-N. The full InChI is InChI=1S/C20H21F3O4/c21-20(22,23)19-18(26-13-15-9-5-2-6-10-15)16(11-17(24)27-19)25-12-14-7-3-1-4-8-14/h1-10,16-19,24H,11-13H2/t16-,17+,18-,19+/m1/s1.
What are the key properties of (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol?
(2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol has a molecular weight of 382.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 67569911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).