(1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol

C15H21F2NO2 — CID 95586158

IUPAC(1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol
SMILESC[C@@H]1CN(C[C@H](O)c2cc(F)ccc2F)CC(C)(C)O1
InChIInChI=1S/C15H21F2NO2/c1-10-7-18(9-15(2,3)20-10)8-14(19)12-6-11(16)4-5-13(12)17/h4-6,10,14,19H,7-9H2,1-3H3/t10-,14+/m1/s1
InChIKeyVYSPFABMIOJZJO-YGRLFVJLSA-N
MW285.33 g/mol
LogP2.50
Rot. Bonds3

About (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol

(1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol (PubChem CID 95586158) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol
PubChem CID95586158
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name(1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol
SMILESC[C@@H]1CN(C[C@H](O)c2cc(F)ccc2F)CC(C)(C)O1
InChIInChI=1S/C15H21F2NO2/c1-10-7-18(9-15(2,3)20-10)8-14(19)12-6-11(16)4-5-13(12)17/h4-6,10,14,19H,7-9H2,1-3H3/t10-,14+/m1/s1
InChIKeyVYSPFABMIOJZJO-YGRLFVJLSA-N
XLogP2.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol?
The IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol (CID 95586158) is (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol?
The canonical SMILES for (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol is C[C@@H]1CN(C[C@H](O)c2cc(F)ccc2F)CC(C)(C)O1.
What is the InChIKey of (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol?
The InChIKey is VYSPFABMIOJZJO-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10-7-18(9-15(2,3)20-10)8-14(19)12-6-11(16)4-5-13(12)17/h4-6,10,14,19H,7-9H2,1-3H3/t10-,14+/m1/s1.
What are the key properties of (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol?
(1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol has a molecular weight of 285.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol is sourced from PubChem (CID 95586158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).