[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol

C9H10F4N6O — CID 69363085

IUPAC[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESOC(c1ncn(CC(F)F)n1)c1ncnn1CC(F)F
InChIInChI=1S/C9H10F4N6O/c10-5(11)1-18-4-15-8(17-18)7(20)9-14-3-16-19(9)2-6(12)13/h3-7,20H,1-2H2
InChIKeyIILCGZLJNMJQPD-UHFFFAOYSA-N
MW294.21 g/mol
LogP0.48
Rot. Bonds6

About [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol

[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 69363085) has the molecular formula C9H10F4N6O and a molecular weight of 294.21 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID69363085
Molecular FormulaC9H10F4N6O
Molecular Weight294.21 g/mol
Exact Mass294.09
IUPAC Name[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESOC(c1ncn(CC(F)F)n1)c1ncnn1CC(F)F
InChIInChI=1S/C9H10F4N6O/c10-5(11)1-18-4-15-8(17-18)7(20)9-14-3-16-19(9)2-6(12)13/h3-7,20H,1-2H2
InChIKeyIILCGZLJNMJQPD-UHFFFAOYSA-N
XLogP0.48
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol (CID 69363085) is [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol is OC(c1ncn(CC(F)F)n1)c1ncnn1CC(F)F.
What is the InChIKey of [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is IILCGZLJNMJQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N6O/c10-5(11)1-18-4-15-8(17-18)7(20)9-14-3-16-19(9)2-6(12)13/h3-7,20H,1-2H2.
What are the key properties of [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 294.21 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 69363085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).