[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol

C11H17F2N3O2 — CID 114286871

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1nccn1C(F)F
InChIInChI=1S/C11H17F2N3O2/c1-8-7-18-9(6-17)4-15(8)5-10-14-2-3-16(10)11(12)13/h2-3,8-9,11,17H,4-7H2,1H3
InChIKeySPUAXDCIVUFEDQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.86
Rot. Bonds4

About [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 114286871) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID114286871
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1nccn1C(F)F
InChIInChI=1S/C11H17F2N3O2/c1-8-7-18-9(6-17)4-15(8)5-10-14-2-3-16(10)11(12)13/h2-3,8-9,11,17H,4-7H2,1H3
InChIKeySPUAXDCIVUFEDQ-UHFFFAOYSA-N
XLogP0.86
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol (CID 114286871) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1nccn1C(F)F.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is SPUAXDCIVUFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-8-7-18-9(6-17)4-15(8)5-10-14-2-3-16(10)11(12)13/h2-3,8-9,11,17H,4-7H2,1H3.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 261.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 114286871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).