(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol

C14H12F3N3O — CID 41037811

IUPAC(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1[C@](O)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c1-20-7-6-18-12(20)13(21,14(15,16)17)10-8-19-11-5-3-2-4-9(10)11/h2-8,19,21H,1H3/t13-/m1/s1
InChIKeyVYHWZCALNQOLKH-CYBMUJFWSA-N
MW295.26 g/mol
LogP2.70
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol

(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol (PubChem CID 41037811) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol
PubChem CID41037811
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1[C@](O)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c1-20-7-6-18-12(20)13(21,14(15,16)17)10-8-19-11-5-3-2-4-9(10)11/h2-8,19,21H,1H3/t13-/m1/s1
InChIKeyVYHWZCALNQOLKH-CYBMUJFWSA-N
XLogP2.70
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol with MolForge

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Related Compounds

(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 42624729
1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol
CID 2999018
(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
CID 51922084
ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 143372133
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
CID 141157758
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
2-chloropyridine;3-(trifluoromethyl)-1H-indole
CID 158415901
1,1,1-trifluoro-2-(1-methylimidazol-2-yl)-4-(2-methylphenyl)but-3-yn-2-ol
CID 132546841
(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
CID 94796321
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
1,1,1-trifluoro-2-(1-methylimidazol-2-yl)-4-(4-phenylphenyl)but-3-yn-2-ol
CID 132546844

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol (CID 41037811) is (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1[C@](O)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol?
The InChIKey is VYHWZCALNQOLKH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-20-7-6-18-12(20)13(21,14(15,16)17)10-8-19-11-5-3-2-4-9(10)11/h2-8,19,21H,1H3/t13-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol?
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol has a molecular weight of 295.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 41037811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).