2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol

C11H11BrF2N4O — CID 66270971

IUPAC2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2c(F)cc(Br)cc2F)nn1
InChIInChI=1S/C11H11BrF2N4O/c12-7-3-9(13)11(10(14)4-7)15-5-8-6-18(1-2-19)17-16-8/h3-4,6,15,19H,1-2,5H2
InChIKeyMTVQGPKMWVCTGD-UHFFFAOYSA-N
MW333.14 g/mol
LogP1.92
Rot. Bonds5

About 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol

2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol (PubChem CID 66270971) has the molecular formula C11H11BrF2N4O and a molecular weight of 333.14 g/mol. Its IUPAC name is 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol
PubChem CID66270971
Molecular FormulaC11H11BrF2N4O
Molecular Weight333.14 g/mol
Exact Mass332.01
IUPAC Name2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2c(F)cc(Br)cc2F)nn1
InChIInChI=1S/C11H11BrF2N4O/c12-7-3-9(13)11(10(14)4-7)15-5-8-6-18(1-2-19)17-16-8/h3-4,6,15,19H,1-2,5H2
InChIKeyMTVQGPKMWVCTGD-UHFFFAOYSA-N
XLogP1.92
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,3,4,5,6-pentafluoroanilino)methyl]triazol-1-yl]ethanol
CID 115564130
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66270955
3-[4-[(2,4-difluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66268338
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66268282
2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol
CID 66270581
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
3-[4-[(4-chloro-2-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270446
3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270055
3-[4-[(2-bromo-5-chloroanilino)methyl]triazol-1-yl]propan-1-ol
CID 81263435
2-[4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]triazol-1-yl]ethanol
CID 66268104

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol (CID 66270971) is 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol is OCCn1cc(CNc2c(F)cc(Br)cc2F)nn1.
What is the InChIKey of 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol?
The InChIKey is MTVQGPKMWVCTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4O/c12-7-3-9(13)11(10(14)4-7)15-5-8-6-18(1-2-19)17-16-8/h3-4,6,15,19H,1-2,5H2.
What are the key properties of 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol?
2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol has a molecular weight of 333.14 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66270971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).