4,7-bis(trifluoromethyl)-1H-indole

C10H5F6N — CID 53404084

IUPAC4,7-bis(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c2[nH]ccc12
InChIInChI=1S/C10H5F6N/c11-9(12,13)6-1-2-7(10(14,15)16)8-5(6)3-4-17-8/h1-4,17H
InChIKeyRNFIGIOSVJQXOR-UHFFFAOYSA-N
MW253.15 g/mol
LogP4.21
Rot. Bonds

About 4,7-bis(trifluoromethyl)-1H-indole

4,7-bis(trifluoromethyl)-1H-indole (PubChem CID 53404084) has the molecular formula C10H5F6N and a molecular weight of 253.15 g/mol. Its IUPAC name is 4,7-bis(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name4,7-bis(trifluoromethyl)-1H-indole
PubChem CID53404084
Molecular FormulaC10H5F6N
Molecular Weight253.15 g/mol
Exact Mass253.03
IUPAC Name4,7-bis(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c2[nH]ccc12
InChIInChI=1S/C10H5F6N/c11-9(12,13)6-1-2-7(10(14,15)16)8-5(6)3-4-17-8/h1-4,17H
InChIKeyRNFIGIOSVJQXOR-UHFFFAOYSA-N
XLogP4.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(trifluoromethyl)-1H-indole?
The IUPAC name of 4,7-bis(trifluoromethyl)-1H-indole (CID 53404084) is 4,7-bis(trifluoromethyl)-1H-indole.
What is the SMILES notation for 4,7-bis(trifluoromethyl)-1H-indole?
The canonical SMILES for 4,7-bis(trifluoromethyl)-1H-indole is FC(F)(F)c1ccc(C(F)(F)F)c2[nH]ccc12.
What is the InChIKey of 4,7-bis(trifluoromethyl)-1H-indole?
The InChIKey is RNFIGIOSVJQXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N/c11-9(12,13)6-1-2-7(10(14,15)16)8-5(6)3-4-17-8/h1-4,17H.
What are the key properties of 4,7-bis(trifluoromethyl)-1H-indole?
4,7-bis(trifluoromethyl)-1H-indole has a molecular weight of 253.15 g/mol, XLogP of 4.21, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(trifluoromethyl)-1H-indole is sourced from PubChem (CID 53404084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).