4-(7-fluoro-1H-indol-2-yl)aniline

C14H11FN2 — CID 71602424

IUPAC4-(7-fluoro-1H-indol-2-yl)aniline
SMILESNc1ccc(-c2cc3cccc(F)c3[nH]2)cc1
InChIInChI=1S/C14H11FN2/c15-12-3-1-2-10-8-13(17-14(10)12)9-4-6-11(16)7-5-9/h1-8,17H,16H2
InChIKeyFGHDSBIFBJCVOG-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.56
Rot. Bonds1

About 4-(7-fluoro-1H-indol-2-yl)aniline

4-(7-fluoro-1H-indol-2-yl)aniline (PubChem CID 71602424) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(7-fluoro-1H-indol-2-yl)aniline.

Molecular Properties

Compound Name4-(7-fluoro-1H-indol-2-yl)aniline
PubChem CID71602424
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name4-(7-fluoro-1H-indol-2-yl)aniline
SMILESNc1ccc(-c2cc3cccc(F)c3[nH]2)cc1
InChIInChI=1S/C14H11FN2/c15-12-3-1-2-10-8-13(17-14(10)12)9-4-6-11(16)7-5-9/h1-8,17H,16H2
InChIKeyFGHDSBIFBJCVOG-UHFFFAOYSA-N
XLogP3.56
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1H-indol-2-yl)aniline?
The IUPAC name of 4-(7-fluoro-1H-indol-2-yl)aniline (CID 71602424) is 4-(7-fluoro-1H-indol-2-yl)aniline.
What is the SMILES notation for 4-(7-fluoro-1H-indol-2-yl)aniline?
The canonical SMILES for 4-(7-fluoro-1H-indol-2-yl)aniline is Nc1ccc(-c2cc3cccc(F)c3[nH]2)cc1.
What is the InChIKey of 4-(7-fluoro-1H-indol-2-yl)aniline?
The InChIKey is FGHDSBIFBJCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-12-3-1-2-10-8-13(17-14(10)12)9-4-6-11(16)7-5-9/h1-8,17H,16H2.
What are the key properties of 4-(7-fluoro-1H-indol-2-yl)aniline?
4-(7-fluoro-1H-indol-2-yl)aniline has a molecular weight of 226.25 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1H-indol-2-yl)aniline is sourced from PubChem (CID 71602424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).