5-fluoro-7-(fluoromethyl)-1H-indole

C9H7F2N — CID 118086173

IUPAC5-fluoro-7-(fluoromethyl)-1H-indole
SMILESFCc1cc(F)cc2cc[nH]c12
InChIInChI=1S/C9H7F2N/c10-5-7-4-8(11)3-6-1-2-12-9(6)7/h1-4,12H,5H2
InChIKeyDKSGDGJSJAOJCD-UHFFFAOYSA-N
MW167.16 g/mol
LogP2.78
Rot. Bonds1

About 5-fluoro-7-(fluoromethyl)-1H-indole

5-fluoro-7-(fluoromethyl)-1H-indole (PubChem CID 118086173) has the molecular formula C9H7F2N and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-fluoro-7-(fluoromethyl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-7-(fluoromethyl)-1H-indole
PubChem CID118086173
Molecular FormulaC9H7F2N
Molecular Weight167.16 g/mol
Exact Mass167.05
IUPAC Name5-fluoro-7-(fluoromethyl)-1H-indole
SMILESFCc1cc(F)cc2cc[nH]c12
InChIInChI=1S/C9H7F2N/c10-5-7-4-8(11)3-6-1-2-12-9(6)7/h1-4,12H,5H2
InChIKeyDKSGDGJSJAOJCD-UHFFFAOYSA-N
XLogP2.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(fluoromethyl)-1H-indole?
The IUPAC name of 5-fluoro-7-(fluoromethyl)-1H-indole (CID 118086173) is 5-fluoro-7-(fluoromethyl)-1H-indole.
What is the SMILES notation for 5-fluoro-7-(fluoromethyl)-1H-indole?
The canonical SMILES for 5-fluoro-7-(fluoromethyl)-1H-indole is FCc1cc(F)cc2cc[nH]c12.
What is the InChIKey of 5-fluoro-7-(fluoromethyl)-1H-indole?
The InChIKey is DKSGDGJSJAOJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N/c10-5-7-4-8(11)3-6-1-2-12-9(6)7/h1-4,12H,5H2.
What are the key properties of 5-fluoro-7-(fluoromethyl)-1H-indole?
5-fluoro-7-(fluoromethyl)-1H-indole has a molecular weight of 167.16 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(fluoromethyl)-1H-indole is sourced from PubChem (CID 118086173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).