2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol

C20H16F3N3O — CID 59437315

IUPAC2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol
SMILESC=CCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H16F3N3O/c1-2-9-26-12-16(15-5-3-4-6-18(15)26)19(27,20(21,22)23)14-7-8-17-13(10-14)11-24-25-17/h2-8,10-12,27H,1,9H2,(H,24,25)
InChIKeyYBERQQZBGAMDRQ-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.50
Rot. Bonds4

About 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol

2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol (PubChem CID 59437315) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol
PubChem CID59437315
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol
SMILESC=CCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H16F3N3O/c1-2-9-26-12-16(15-5-3-4-6-18(15)26)19(27,20(21,22)23)14-7-8-17-13(10-14)11-24-25-17/h2-8,10-12,27H,1,9H2,(H,24,25)
InChIKeyYBERQQZBGAMDRQ-UHFFFAOYSA-N
XLogP4.50
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol (CID 59437315) is 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol is C=CCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol?
The InChIKey is YBERQQZBGAMDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-2-9-26-12-16(15-5-3-4-6-18(15)26)19(27,20(21,22)23)14-7-8-17-13(10-14)11-24-25-17/h2-8,10-12,27H,1,9H2,(H,24,25).
What are the key properties of 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol?
2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol has a molecular weight of 371.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol is sourced from PubChem (CID 59437315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).