4-fluoro-1H-indol-3-amine

C8H7FN2 — CID 82417499

IUPAC4-fluoro-1H-indol-3-amine
SMILESNc1c[nH]c2cccc(F)c12
InChIInChI=1S/C8H7FN2/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4,11H,10H2
InChIKeySPJSBDLARHSQFP-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.89
Rot. Bonds

About 4-fluoro-1H-indol-3-amine

4-fluoro-1H-indol-3-amine (PubChem CID 82417499) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 4-fluoro-1H-indol-3-amine.

Molecular Properties

Compound Name4-fluoro-1H-indol-3-amine
PubChem CID82417499
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name4-fluoro-1H-indol-3-amine
SMILESNc1c[nH]c2cccc(F)c12
InChIInChI=1S/C8H7FN2/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4,11H,10H2
InChIKeySPJSBDLARHSQFP-UHFFFAOYSA-N
XLogP1.89
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-indol-3-amine?
The IUPAC name of 4-fluoro-1H-indol-3-amine (CID 82417499) is 4-fluoro-1H-indol-3-amine.
What is the SMILES notation for 4-fluoro-1H-indol-3-amine?
The canonical SMILES for 4-fluoro-1H-indol-3-amine is Nc1c[nH]c2cccc(F)c12.
What is the InChIKey of 4-fluoro-1H-indol-3-amine?
The InChIKey is SPJSBDLARHSQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4,11H,10H2.
What are the key properties of 4-fluoro-1H-indol-3-amine?
4-fluoro-1H-indol-3-amine has a molecular weight of 150.16 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-indol-3-amine is sourced from PubChem (CID 82417499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).