[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol

C13H17BrFNO2 — CID 81219213

IUPAC[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H17BrFNO2/c1-9-8-18-13(7-17)6-16(9)5-10-2-11(14)4-12(15)3-10/h2-4,9,13,17H,5-8H2,1H3
InChIKeyVALIBFHHSYWALI-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.17
Rot. Bonds3

About [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol

[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81219213) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81219213
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H17BrFNO2/c1-9-8-18-13(7-17)6-16(9)5-10-2-11(14)4-12(15)3-10/h2-4,9,13,17H,5-8H2,1H3
InChIKeyVALIBFHHSYWALI-UHFFFAOYSA-N
XLogP2.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol (CID 81219213) is [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1cc(F)cc(Br)c1.
What is the InChIKey of [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is VALIBFHHSYWALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-9-8-18-13(7-17)6-16(9)5-10-2-11(14)4-12(15)3-10/h2-4,9,13,17H,5-8H2,1H3.
What are the key properties of [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 318.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).