1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol

C10H7BrF3NO — CID 15687722

IUPAC1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol
SMILESOC(c1c[nH]c2ccc(Br)cc12)C(F)(F)F
InChIInChI=1S/C10H7BrF3NO/c11-5-1-2-8-6(3-5)7(4-15-8)9(16)10(12,13)14/h1-4,9,15-16H
InChIKeyAOQZVXZZKVYVEI-UHFFFAOYSA-N
MW294.07 g/mol
LogP3.53
Rot. Bonds1

About 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol

1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol (PubChem CID 15687722) has the molecular formula C10H7BrF3NO and a molecular weight of 294.07 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol
PubChem CID15687722
Molecular FormulaC10H7BrF3NO
Molecular Weight294.07 g/mol
Exact Mass292.97
IUPAC Name1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol
SMILESOC(c1c[nH]c2ccc(Br)cc12)C(F)(F)F
InChIInChI=1S/C10H7BrF3NO/c11-5-1-2-8-6(3-5)7(4-15-8)9(16)10(12,13)14/h1-4,9,15-16H
InChIKeyAOQZVXZZKVYVEI-UHFFFAOYSA-N
XLogP3.53
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol (CID 15687722) is 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol is OC(c1c[nH]c2ccc(Br)cc12)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol?
The InChIKey is AOQZVXZZKVYVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO/c11-5-1-2-8-6(3-5)7(4-15-8)9(16)10(12,13)14/h1-4,9,15-16H.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol?
1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol has a molecular weight of 294.07 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 15687722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).