5,7-difluoro-1H-indole

C8H5F2N — CID 2778730

IUPAC5,7-difluoro-1H-indole
SMILESFc1cc(F)c2[nH]ccc2c1
InChIInChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKeyWZPOGQRJXZGSMH-UHFFFAOYSA-N
MW153.13 g/mol
LogP2.45
Rot. Bonds

About 5,7-difluoro-1H-indole

5,7-difluoro-1H-indole (PubChem CID 2778730) has the molecular formula C8H5F2N and a molecular weight of 153.13 g/mol. Its IUPAC name is 5,7-difluoro-1H-indole.

Molecular Properties

Compound Name5,7-difluoro-1H-indole
PubChem CID2778730
Molecular FormulaC8H5F2N
Molecular Weight153.13 g/mol
Exact Mass153.04
IUPAC Name5,7-difluoro-1H-indole
SMILESFc1cc(F)c2[nH]ccc2c1
InChIInChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKeyWZPOGQRJXZGSMH-UHFFFAOYSA-N
XLogP2.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1H-indole?
The IUPAC name of 5,7-difluoro-1H-indole (CID 2778730) is 5,7-difluoro-1H-indole.
What is the SMILES notation for 5,7-difluoro-1H-indole?
The canonical SMILES for 5,7-difluoro-1H-indole is Fc1cc(F)c2[nH]ccc2c1.
What is the InChIKey of 5,7-difluoro-1H-indole?
The InChIKey is WZPOGQRJXZGSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H.
What are the key properties of 5,7-difluoro-1H-indole?
5,7-difluoro-1H-indole has a molecular weight of 153.13 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1H-indole is sourced from PubChem (CID 2778730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).