2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol

C12H12F4N4O — CID 66270955

IUPAC2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc(F)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H12F4N4O/c13-11-2-1-8(5-10(11)12(14,15)16)17-6-9-7-20(3-4-21)19-18-9/h1-2,5,7,17,21H,3-4,6H2
InChIKeyLCDUUHRKPFAJNP-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.04
Rot. Bonds5

About 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol

2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol (PubChem CID 66270955) has the molecular formula C12H12F4N4O and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
PubChem CID66270955
Molecular FormulaC12H12F4N4O
Molecular Weight304.25 g/mol
Exact Mass304.09
IUPAC Name2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc(F)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H12F4N4O/c13-11-2-1-8(5-10(11)12(14,15)16)17-6-9-7-20(3-4-21)19-18-9/h1-2,5,7,17,21H,3-4,6H2
InChIKeyLCDUUHRKPFAJNP-UHFFFAOYSA-N
XLogP2.04
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269599
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66268282
2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269771
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
2-[4-[(2,3,4,5,6-pentafluoroanilino)methyl]triazol-1-yl]ethanol
CID 115564130
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66270727
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzonitrile
CID 66268640
2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66270971
[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969641
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270046

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol (CID 66270955) is 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol is OCCn1cc(CNc2ccc(F)c(C(F)(F)F)c2)nn1.
What is the InChIKey of 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol?
The InChIKey is LCDUUHRKPFAJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N4O/c13-11-2-1-8(5-10(11)12(14,15)16)17-6-9-7-20(3-4-21)19-18-9/h1-2,5,7,17,21H,3-4,6H2.
What are the key properties of 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol?
2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol has a molecular weight of 304.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66270955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).