(5,6-difluoro-1H-indol-3-yl)azanium

C8H7F2N2+ — CID 156720643

IUPAC(5,6-difluoro-1H-indol-3-yl)azanium
SMILES[NH3+]c1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C8H6F2N2/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-3,12H,11H2/p+1
InChIKeyFFOWTBVMKZVWCM-UHFFFAOYSA-O
MW169.15 g/mol
LogP1.32
Rot. Bonds

About (5,6-difluoro-1H-indol-3-yl)azanium

(5,6-difluoro-1H-indol-3-yl)azanium (PubChem CID 156720643) has the molecular formula C8H7F2N2+ and a molecular weight of 169.15 g/mol. Its IUPAC name is (5,6-difluoro-1H-indol-3-yl)azanium.

Molecular Properties

Compound Name(5,6-difluoro-1H-indol-3-yl)azanium
PubChem CID156720643
Molecular FormulaC8H7F2N2+
Molecular Weight169.15 g/mol
Exact Mass169.06
IUPAC Name(5,6-difluoro-1H-indol-3-yl)azanium
SMILES[NH3+]c1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C8H6F2N2/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-3,12H,11H2/p+1
InChIKeyFFOWTBVMKZVWCM-UHFFFAOYSA-O
XLogP1.32
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

5,6-difluoro-3-(2-fluoroethyl)-1H-indole
CID 89153643
5,6-difluoro-1H-indole-3-sulfinyl chloride
CID 135201076
5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine
CID 175446361
6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 7017062
1-(5,6-difluoro-1H-indol-3-yl)prop-2-yn-1-one
CID 162444599
3-(4-chlorobutyl)-5,6-difluoro-1H-indole
CID 19438843
(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
CID 149406796
methyl 2-amino-3-(5,6-difluoro-1H-indol-3-yl)propanoate
CID 166609513
3-bromo-5-chloro-6-fluoro-1H-indole
CID 84706657
5-chloro-6-fluoro-3-methyl-1H-indole
CID 118084325
5-bromo-6-fluoro-3-methyl-1H-indole
CID 118084336
CID 178060719
CID 178060719

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-1H-indol-3-yl)azanium?
The IUPAC name of (5,6-difluoro-1H-indol-3-yl)azanium (CID 156720643) is (5,6-difluoro-1H-indol-3-yl)azanium.
What is the SMILES notation for (5,6-difluoro-1H-indol-3-yl)azanium?
The canonical SMILES for (5,6-difluoro-1H-indol-3-yl)azanium is [NH3+]c1c[nH]c2cc(F)c(F)cc12.
What is the InChIKey of (5,6-difluoro-1H-indol-3-yl)azanium?
The InChIKey is FFOWTBVMKZVWCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6F2N2/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-3,12H,11H2/p+1.
What are the key properties of (5,6-difluoro-1H-indol-3-yl)azanium?
(5,6-difluoro-1H-indol-3-yl)azanium has a molecular weight of 169.15 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-1H-indol-3-yl)azanium is sourced from PubChem (CID 156720643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).