2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol

C16H23F2NO3 — CID 121282826

IUPAC2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol
SMILESCC1(CCO)CN(Cc2ccccc2)C(COC(F)F)CO1
InChIInChI=1S/C16H23F2NO3/c1-16(7-8-20)12-19(9-13-5-3-2-4-6-13)14(11-22-16)10-21-15(17)18/h2-6,14-15,20H,7-12H2,1H3
InChIKeyOTJIKPIKEDDGTA-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.27
Rot. Bonds7

About 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol

2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol (PubChem CID 121282826) has the molecular formula C16H23F2NO3 and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol
PubChem CID121282826
Molecular FormulaC16H23F2NO3
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC Name2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol
SMILESCC1(CCO)CN(Cc2ccccc2)C(COC(F)F)CO1
InChIInChI=1S/C16H23F2NO3/c1-16(7-8-20)12-19(9-13-5-3-2-4-6-13)14(11-22-16)10-21-15(17)18/h2-6,14-15,20H,7-12H2,1H3
InChIKeyOTJIKPIKEDDGTA-UHFFFAOYSA-N
XLogP2.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol?
The IUPAC name of 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol (CID 121282826) is 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol.
What is the SMILES notation for 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol?
The canonical SMILES for 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol is CC1(CCO)CN(Cc2ccccc2)C(COC(F)F)CO1.
What is the InChIKey of 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol?
The InChIKey is OTJIKPIKEDDGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3/c1-16(7-8-20)12-19(9-13-5-3-2-4-6-13)14(11-22-16)10-21-15(17)18/h2-6,14-15,20H,7-12H2,1H3.
What are the key properties of 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol?
2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol has a molecular weight of 315.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-benzyl-5-(difluoromethoxymethyl)-2-methylmorpholin-2-yl]ethanol is sourced from PubChem (CID 121282826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).