2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol

C11H12F2N4O — CID 66269403

IUPAC2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cc(F)cc(F)c2)nn1
InChIInChI=1S/C11H12F2N4O/c12-8-3-9(13)5-10(4-8)14-6-11-7-17(1-2-18)16-15-11/h3-5,7,14,18H,1-2,6H2
InChIKeyFMKPKXAAWDEBEG-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.16
Rot. Bonds5

About 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol

2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol (PubChem CID 66269403) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
PubChem CID66269403
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cc(F)cc(F)c2)nn1
InChIInChI=1S/C11H12F2N4O/c12-8-3-9(13)5-10(4-8)14-6-11-7-17(1-2-18)16-15-11/h3-5,7,14,18H,1-2,6H2
InChIKeyFMKPKXAAWDEBEG-UHFFFAOYSA-N
XLogP1.16
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol (CID 66269403) is 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol is OCCn1cc(CNc2cc(F)cc(F)c2)nn1.
What is the InChIKey of 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol?
The InChIKey is FMKPKXAAWDEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c12-8-3-9(13)5-10(4-8)14-6-11-7-17(1-2-18)16-15-11/h3-5,7,14,18H,1-2,6H2.
What are the key properties of 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol?
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol has a molecular weight of 254.24 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).