(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol

C20H23F3O3 — CID 15965591

IUPAC(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol
SMILESO[C@@H]([C@@H](F)[C@H](F)COCc1ccccc1)[C@H](F)COCc1ccccc1
InChIInChI=1S/C20H23F3O3/c21-17(13-25-11-15-7-3-1-4-8-15)19(23)20(24)18(22)14-26-12-16-9-5-2-6-10-16/h1-10,17-20,24H,11-14H2/t17-,18-,19+,20-/m1/s1
InChIKeyCMYZKALXRUPHFG-YSTOQKLRSA-N
MW368.39 g/mol
LogP3.80
Rot. Bonds11

About (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol

(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol (PubChem CID 15965591) has the molecular formula C20H23F3O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol
PubChem CID15965591
Molecular FormulaC20H23F3O3
Molecular Weight368.39 g/mol
Exact Mass368.16
IUPAC Name(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol
SMILESO[C@@H]([C@@H](F)[C@H](F)COCc1ccccc1)[C@H](F)COCc1ccccc1
InChIInChI=1S/C20H23F3O3/c21-17(13-25-11-15-7-3-1-4-8-15)19(23)20(24)18(22)14-26-12-16-9-5-2-6-10-16/h1-10,17-20,24H,11-14H2/t17-,18-,19+,20-/m1/s1
InChIKeyCMYZKALXRUPHFG-YSTOQKLRSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
2-phenylmethoxyethane-1,1-diol
CID 59866645
4-fluoro-1,1,5-tris(phenylmethoxy)pentan-3-ol
CID 19925874
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2,3-difluoropropoxymethylbenzene
CID 86233522
3-fluoro-1,5,5-tris(phenylmethoxy)pentan-2-ol
CID 19925871
CID 172760983
CID 172760983
2-fluorobutoxymethylbenzene
CID 121368179
[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
CID 69067716
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol (CID 15965591) is (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol is O[C@@H]([C@@H](F)[C@H](F)COCc1ccccc1)[C@H](F)COCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol?
The InChIKey is CMYZKALXRUPHFG-YSTOQKLRSA-N. The full InChI is InChI=1S/C20H23F3O3/c21-17(13-25-11-15-7-3-1-4-8-15)19(23)20(24)18(22)14-26-12-16-9-5-2-6-10-16/h1-10,17-20,24H,11-14H2/t17-,18-,19+,20-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol?
(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol has a molecular weight of 368.39 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol is sourced from PubChem (CID 15965591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).