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

C10H15F2N3O2 — CID 113251773

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2nccn2C(F)F)CCO1
InChIInChI=1S/C10H15F2N3O2/c11-10(12)15-2-1-13-9(15)6-14-3-4-17-8(5-14)7-16/h1-2,8,10,16H,3-7H2
InChIKeyUJEPBQNJYLHDQV-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.47
Rot. Bonds4

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

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol (PubChem CID 113251773) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol
PubChem CID113251773
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2nccn2C(F)F)CCO1
InChIInChI=1S/C10H15F2N3O2/c11-10(12)15-2-1-13-9(15)6-14-3-4-17-8(5-14)7-16/h1-2,8,10,16H,3-7H2
InChIKeyUJEPBQNJYLHDQV-UHFFFAOYSA-N
XLogP0.47
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.47
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]morpholin-2-yl]methanol?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol (CID 113251773) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol is OCC1CN(Cc2nccn2C(F)F)CCO1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol?
The InChIKey is UJEPBQNJYLHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c11-10(12)15-2-1-13-9(15)6-14-3-4-17-8(5-14)7-16/h1-2,8,10,16H,3-7H2.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol has a molecular weight of 247.24 g/mol, XLogP of 0.47, 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]morpholin-2-yl]methanol is sourced from PubChem (CID 113251773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).