(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol

C5H6F3N3O — CID 130602732

IUPAC(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc([C@@H](O)C(F)(F)F)nn1
InChIInChI=1S/C5H6F3N3O/c1-11-2-3(9-10-11)4(12)5(6,7)8/h2,4,12H,1H3/t4-/m1/s1
InChIKeyIGTIYKQPKYDTEW-SCSAIBSYSA-N
MW181.12 g/mol
LogP0.41
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol

(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol (PubChem CID 130602732) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
PubChem CID130602732
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC Name(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc([C@@H](O)C(F)(F)F)nn1
InChIInChI=1S/C5H6F3N3O/c1-11-2-3(9-10-11)4(12)5(6,7)8/h2,4,12H,1H3/t4-/m1/s1
InChIKeyIGTIYKQPKYDTEW-SCSAIBSYSA-N
XLogP0.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol
CID 130565150
2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602359
(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol
CID 130508957
1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
CID 148834099
2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602705
(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
CID 96735449
3-hydroxy-3-(1-methyltriazol-4-yl)propanal
CID 130599232
4-[(1R)-1-methoxyethyl]-1-methyltriazole
CID 177199900
furan-3-yl-(1-methyltriazol-4-yl)methanol
CID 130521695
(2-methylpyrazol-3-yl)-(1-methyltriazol-4-yl)methanol
CID 130521702
2-azido-1-(1-methyltriazol-4-yl)ethanol
CID 165492311
(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide
CID 130598575

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol (CID 130602732) is (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol is Cn1cc([C@@H](O)C(F)(F)F)nn1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol?
The InChIKey is IGTIYKQPKYDTEW-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c1-11-2-3(9-10-11)4(12)5(6,7)8/h2,4,12H,1H3/t4-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol?
(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol has a molecular weight of 181.12 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 130602732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).