5-fluoro-6-(trifluoromethoxy)-1H-indole

C9H5F4NO — CID 142439900

IUPAC5-fluoro-6-(trifluoromethoxy)-1H-indole
SMILESFc1cc2cc[nH]c2cc1OC(F)(F)F
InChIInChI=1S/C9H5F4NO/c10-6-3-5-1-2-14-7(5)4-8(6)15-9(11,12)13/h1-4,14H
InChIKeyOCABOAQENCPTSP-UHFFFAOYSA-N
MW219.14 g/mol
LogP3.21
Rot. Bonds1

About 5-fluoro-6-(trifluoromethoxy)-1H-indole

5-fluoro-6-(trifluoromethoxy)-1H-indole (PubChem CID 142439900) has the molecular formula C9H5F4NO and a molecular weight of 219.14 g/mol. Its IUPAC name is 5-fluoro-6-(trifluoromethoxy)-1H-indole.

Molecular Properties

Compound Name5-fluoro-6-(trifluoromethoxy)-1H-indole
PubChem CID142439900
Molecular FormulaC9H5F4NO
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name5-fluoro-6-(trifluoromethoxy)-1H-indole
SMILESFc1cc2cc[nH]c2cc1OC(F)(F)F
InChIInChI=1S/C9H5F4NO/c10-6-3-5-1-2-14-7(5)4-8(6)15-9(11,12)13/h1-4,14H
InChIKeyOCABOAQENCPTSP-UHFFFAOYSA-N
XLogP3.21
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(trifluoromethoxy)-1H-indole?
The IUPAC name of 5-fluoro-6-(trifluoromethoxy)-1H-indole (CID 142439900) is 5-fluoro-6-(trifluoromethoxy)-1H-indole.
What is the SMILES notation for 5-fluoro-6-(trifluoromethoxy)-1H-indole?
The canonical SMILES for 5-fluoro-6-(trifluoromethoxy)-1H-indole is Fc1cc2cc[nH]c2cc1OC(F)(F)F.
What is the InChIKey of 5-fluoro-6-(trifluoromethoxy)-1H-indole?
The InChIKey is OCABOAQENCPTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4NO/c10-6-3-5-1-2-14-7(5)4-8(6)15-9(11,12)13/h1-4,14H.
What are the key properties of 5-fluoro-6-(trifluoromethoxy)-1H-indole?
5-fluoro-6-(trifluoromethoxy)-1H-indole has a molecular weight of 219.14 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(trifluoromethoxy)-1H-indole is sourced from PubChem (CID 142439900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).