5-fluoro-2-methylideneindol-1-ium

C9H7FN+ — CID 123585887

IUPAC5-fluoro-2-methylideneindol-1-ium
SMILESC=C1C=c2cc(F)ccc2=[NH+]1
InChIInChI=1S/C9H6FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H2/p+1
InChIKeyWFDPDRAZUMKYSK-UHFFFAOYSA-O
MW148.16 g/mol
LogP-1.17
Rot. Bonds

About 5-fluoro-2-methylideneindol-1-ium

5-fluoro-2-methylideneindol-1-ium (PubChem CID 123585887) has the molecular formula C9H7FN+ and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-fluoro-2-methylideneindol-1-ium.

Molecular Properties

Compound Name5-fluoro-2-methylideneindol-1-ium
PubChem CID123585887
Molecular FormulaC9H7FN+
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-fluoro-2-methylideneindol-1-ium
SMILESC=C1C=c2cc(F)ccc2=[NH+]1
InChIInChI=1S/C9H6FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H2/p+1
InChIKeyWFDPDRAZUMKYSK-UHFFFAOYSA-O
XLogP-1.17
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylideneindol-1-ium?
The IUPAC name of 5-fluoro-2-methylideneindol-1-ium (CID 123585887) is 5-fluoro-2-methylideneindol-1-ium.
What is the SMILES notation for 5-fluoro-2-methylideneindol-1-ium?
The canonical SMILES for 5-fluoro-2-methylideneindol-1-ium is C=C1C=c2cc(F)ccc2=[NH+]1.
What is the InChIKey of 5-fluoro-2-methylideneindol-1-ium?
The InChIKey is WFDPDRAZUMKYSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H6FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H2/p+1.
What are the key properties of 5-fluoro-2-methylideneindol-1-ium?
5-fluoro-2-methylideneindol-1-ium has a molecular weight of 148.16 g/mol, XLogP of -1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylideneindol-1-ium is sourced from PubChem (CID 123585887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).