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

C9H11F2N5O — CID 81444481

IUPAC1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C9H11F2N5O/c1-6(17)7-4-15(14-13-7)5-8-12-2-3-16(8)9(10)11/h2-4,6,9,17H,5H2,1H3
InChIKeyHKJAVMGKYBHDMT-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.97
Rot. Bonds4

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

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol (PubChem CID 81444481) has the molecular formula C9H11F2N5O and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol
PubChem CID81444481
Molecular FormulaC9H11F2N5O
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C9H11F2N5O/c1-6(17)7-4-15(14-13-7)5-8-12-2-3-16(8)9(10)11/h2-4,6,9,17H,5H2,1H3
InChIKeyHKJAVMGKYBHDMT-UHFFFAOYSA-N
XLogP0.97
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol (CID 81444481) is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is HKJAVMGKYBHDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5O/c1-6(17)7-4-15(14-13-7)5-8-12-2-3-16(8)9(10)11/h2-4,6,9,17H,5H2,1H3.
What are the key properties of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol?
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 243.22 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81444481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).