(1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol

C15H20F3NO3 — CID 75529563

IUPAC(1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
SMILESCOC[C@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H20F3NO3/c1-22-8-10-6-12(14(21)13(10)20)19-7-9-3-2-4-11(5-9)15(16,17)18/h2-5,10,12-14,19-21H,6-8H2,1H3/t10-,12-,13-,14+/m1/s1
InChIKeyZLOYZNUVMVDLNR-ZRJCITRHSA-N
MW319.32 g/mol
LogP1.55
Rot. Bonds5

About (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol

(1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol (PubChem CID 75529563) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
PubChem CID75529563
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name(1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
SMILESCOC[C@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H20F3NO3/c1-22-8-10-6-12(14(21)13(10)20)19-7-9-3-2-4-11(5-9)15(16,17)18/h2-5,10,12-14,19-21H,6-8H2,1H3/t10-,12-,13-,14+/m1/s1
InChIKeyZLOYZNUVMVDLNR-ZRJCITRHSA-N
XLogP1.55
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol (CID 75529563) is (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol is COC[C@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The InChIKey is ZLOYZNUVMVDLNR-ZRJCITRHSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-22-8-10-6-12(14(21)13(10)20)19-7-9-3-2-4-11(5-9)15(16,17)18/h2-5,10,12-14,19-21H,6-8H2,1H3/t10-,12-,13-,14+/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol has a molecular weight of 319.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol is sourced from PubChem (CID 75529563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).