5-fluoro-2H-indole

C8H6FN — CID 69725021

IUPAC5-fluoro-2H-indole
SMILESC1C=C2C=C(C=CC2=N1)F
InChIInChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-3,5H,4H2
InChIKeyQLNPPDQSPUEQPW-UHFFFAOYSA-N
MW135.14 g/mol
LogP1.10
Rot. Bonds

About 5-fluoro-2H-indole

5-fluoro-2H-indole (PubChem CID 69725021) has the molecular formula C8H6FN and a molecular weight of 135.14 g/mol. Its IUPAC name is 5-fluoro-2H-indole.

Molecular Properties

Compound Name5-fluoro-2H-indole
PubChem CID69725021
Molecular FormulaC8H6FN
Molecular Weight135.14 g/mol
Exact Mass135.05
IUPAC Name5-fluoro-2H-indole
SMILESC1C=C2C=C(C=CC2=N1)F
InChIInChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-3,5H,4H2
InChIKeyQLNPPDQSPUEQPW-UHFFFAOYSA-N
XLogP1.10
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity282

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8aH-carbazole
CID 9548747
2H-Indole
CID 19013146
Methyleneindole
CID 20077160
7aH-indole
CID 20614426
5H-Indole
CID 20712154
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
2-fluoro-N-prop-2-enylcyclohexa-2,4-dien-1-imine
CID 67831161
2-fluoro-2H-indole
CID 69725022
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
5-fluoro-7H-indole
CID 97295149
(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
CID 130413140

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2H-indole?
The IUPAC name of 5-fluoro-2H-indole (CID 69725021) is 5-fluoro-2H-indole.
What is the SMILES notation for 5-fluoro-2H-indole?
The canonical SMILES for 5-fluoro-2H-indole is C1C=C2C=C(C=CC2=N1)F.
What is the InChIKey of 5-fluoro-2H-indole?
The InChIKey is QLNPPDQSPUEQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-3,5H,4H2.
What are the key properties of 5-fluoro-2H-indole?
5-fluoro-2H-indole has a molecular weight of 135.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2H-indole is sourced from PubChem (CID 69725021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).