2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol

C9H11F2N5O — CID 62400006

IUPAC2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C9H11F2N5O/c10-9(11)16-3-2-12-8(16)6-15-5-7(1-4-17)13-14-15/h2-3,5,9,17H,1,4,6H2
InChIKeyXQFVLTAHXONJAO-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.45
Rot. Bonds5

About 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol

2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol (PubChem CID 62400006) has the molecular formula C9H11F2N5O and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol
PubChem CID62400006
Molecular FormulaC9H11F2N5O
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C9H11F2N5O/c10-9(11)16-3-2-12-8(16)6-15-5-7(1-4-17)13-14-15/h2-3,5,9,17H,1,4,6H2
InChIKeyXQFVLTAHXONJAO-UHFFFAOYSA-N
XLogP0.45
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol (CID 62400006) is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol is OCCc1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is XQFVLTAHXONJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5O/c10-9(11)16-3-2-12-8(16)6-15-5-7(1-4-17)13-14-15/h2-3,5,9,17H,1,4,6H2.
What are the key properties of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol?
2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 243.22 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62400006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).