[(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol

C11H17F2N3O2 — CID 164631690

IUPAC[(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol
SMILESCN(Cc1nccn1C(F)F)[C@@]1(CO)CCOC1
InChIInChI=1S/C11H17F2N3O2/c1-15(11(7-17)2-5-18-8-11)6-9-14-3-4-16(9)10(12)13/h3-4,10,17H,2,5-8H2,1H3/t11-/m1/s1
InChIKeyFAIGYEPJBFHSEB-LLVKDONJSA-N
MW261.27 g/mol
LogP0.86
Rot. Bonds5

About [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol

[(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol (PubChem CID 164631690) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol
PubChem CID164631690
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC Name[(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol
SMILESCN(Cc1nccn1C(F)F)[C@@]1(CO)CCOC1
InChIInChI=1S/C11H17F2N3O2/c1-15(11(7-17)2-5-18-8-11)6-9-14-3-4-16(9)10(12)13/h3-4,10,17H,2,5-8H2,1H3/t11-/m1/s1
InChIKeyFAIGYEPJBFHSEB-LLVKDONJSA-N
XLogP0.86
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol?
The IUPAC name of [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol (CID 164631690) is [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol.
What is the SMILES notation for [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol?
The canonical SMILES for [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol is CN(Cc1nccn1C(F)F)[C@@]1(CO)CCOC1.
What is the InChIKey of [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol?
The InChIKey is FAIGYEPJBFHSEB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-15(11(7-17)2-5-18-8-11)6-9-14-3-4-16(9)10(12)13/h3-4,10,17H,2,5-8H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol?
[(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol has a molecular weight of 261.27 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol is sourced from PubChem (CID 164631690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).