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

C6H7F3N2O — CID 130508957

IUPAC(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol
SMILESCn1cnc([C@@H](O)C(F)(F)F)c1
InChIInChI=1S/C6H7F3N2O/c1-11-2-4(10-3-11)5(12)6(7,8)9/h2-3,5,12H,1H3/t5-/m1/s1
InChIKeyYILZHLYGQYYMQM-RXMQYKEDSA-N
MW180.13 g/mol
LogP1.02
Rot. Bonds1

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

(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol (PubChem CID 130508957) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol
PubChem CID130508957
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol
SMILESCn1cnc([C@@H](O)C(F)(F)F)c1
InChIInChI=1S/C6H7F3N2O/c1-11-2-4(10-3-11)5(12)6(7,8)9/h2-3,5,12H,1H3/t5-/m1/s1
InChIKeyYILZHLYGQYYMQM-RXMQYKEDSA-N
XLogP1.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
CID 164650188
(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
CID 130602732
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine
CID 130598930
4-chloro-1-(1-methylimidazol-4-yl)butane-1,2-diol
CID 171894848
(1-methylimidazol-4-yl)-(propan-2-ylamino)methanol
CID 129044247
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol
CID 118967253
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
3-methyl-1-(1-methylimidazol-4-yl)but-2-en-1-amine
CID 107976194
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol (CID 130508957) is (1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol is Cn1cnc([C@@H](O)C(F)(F)F)c1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol?
The InChIKey is YILZHLYGQYYMQM-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-11-2-4(10-3-11)5(12)6(7,8)9/h2-3,5,12H,1H3/t5-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol?
(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol has a molecular weight of 180.13 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 130508957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).