[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol

C12H19F2N3O2 — CID 114779982

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2nccn2C(F)F)CC(CO)O1
InChIInChI=1S/C12H19F2N3O2/c1-12(2)8-16(5-9(7-18)19-12)6-10-15-3-4-17(10)11(13)14/h3-4,9,11,18H,5-8H2,1-2H3
InChIKeyPYASSSRQMJCDFX-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.25
Rot. Bonds4

About [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779982) has the molecular formula C12H19F2N3O2 and a molecular weight of 275.30 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779982
Molecular FormulaC12H19F2N3O2
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2nccn2C(F)F)CC(CO)O1
InChIInChI=1S/C12H19F2N3O2/c1-12(2)8-16(5-9(7-18)19-12)6-10-15-3-4-17(10)11(13)14/h3-4,9,11,18H,5-8H2,1-2H3
InChIKeyPYASSSRQMJCDFX-UHFFFAOYSA-N
XLogP1.25
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.25
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]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779982) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(Cc2nccn2C(F)F)CC(CO)O1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is PYASSSRQMJCDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2/c1-12(2)8-16(5-9(7-18)19-12)6-10-15-3-4-17(10)11(13)14/h3-4,9,11,18H,5-8H2,1-2H3.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 275.30 g/mol, XLogP of 1.25, 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]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).