2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol

C9H15F3N4O2 — CID 66270018

IUPAC2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCCOCC(F)(F)F)nn1
InChIInChI=1S/C9H15F3N4O2/c10-9(11,12)7-18-4-1-13-5-8-6-16(2-3-17)15-14-8/h6,13,17H,1-5,7H2
InChIKeyDNSYALDYOLSWJH-UHFFFAOYSA-N
MW268.24 g/mol
LogP-0.06
Rot. Bonds8

About 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol

2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66270018) has the molecular formula C9H15F3N4O2 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol
PubChem CID66270018
Molecular FormulaC9H15F3N4O2
Molecular Weight268.24 g/mol
Exact Mass268.11
IUPAC Name2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCCOCC(F)(F)F)nn1
InChIInChI=1S/C9H15F3N4O2/c10-9(11,12)7-18-4-1-13-5-8-6-16(2-3-17)15-14-8/h6,13,17H,1-5,7H2
InChIKeyDNSYALDYOLSWJH-UHFFFAOYSA-N
XLogP-0.06
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]ethanamine
CID 66204200
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propanenitrile
CID 66270547
N-[[1-[2-(4,4,4-trifluorobutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 82792791
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide
CID 114167058

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol (CID 66270018) is 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol is OCCn1cc(CNCCOCC(F)(F)F)nn1.
What is the InChIKey of 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is DNSYALDYOLSWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2/c10-9(11,12)7-18-4-1-13-5-8-6-16(2-3-17)15-14-8/h6,13,17H,1-5,7H2.
What are the key properties of 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 268.24 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66270018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).