[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol

C13H17BrFNO2 — CID 143325436

IUPAC[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol
SMILESC[C@@H]1CN(c2c(F)cc(Br)cc2CO)C[C@H](C)O1
InChIInChI=1S/C13H17BrFNO2/c1-8-5-16(6-9(2)18-8)13-10(7-17)3-11(14)4-12(13)15/h3-4,8-9,17H,5-7H2,1-2H3/t8-,9+
InChIKeyGVBPIBGJKAJCTH-DTORHVGOSA-N
MW318.19 g/mol
LogP2.69
Rot. Bonds2

About [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol

[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol (PubChem CID 143325436) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol
PubChem CID143325436
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol
SMILESC[C@@H]1CN(c2c(F)cc(Br)cc2CO)C[C@H](C)O1
InChIInChI=1S/C13H17BrFNO2/c1-8-5-16(6-9(2)18-8)13-10(7-17)3-11(14)4-12(13)15/h3-4,8-9,17H,5-7H2,1-2H3/t8-,9+
InChIKeyGVBPIBGJKAJCTH-DTORHVGOSA-N
XLogP2.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol?
The IUPAC name of [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol (CID 143325436) is [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol?
The canonical SMILES for [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol is C[C@@H]1CN(c2c(F)cc(Br)cc2CO)C[C@H](C)O1.
What is the InChIKey of [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol?
The InChIKey is GVBPIBGJKAJCTH-DTORHVGOSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-8-5-16(6-9(2)18-8)13-10(7-17)3-11(14)4-12(13)15/h3-4,8-9,17H,5-7H2,1-2H3/t8-,9+.
What are the key properties of [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol?
[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol has a molecular weight of 318.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol is sourced from PubChem (CID 143325436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).