1-(difluoromethyl)indol-6-amine

C9H8F2N2 — CID 122163999

IUPAC1-(difluoromethyl)indol-6-amine
SMILESNc1ccc2ccn(C(F)F)c2c1
InChIInChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-1-2-7(12)5-8(6)13/h1-5,9H,12H2
InChIKeyLZQMPJLYQTUYBB-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.62
Rot. Bonds1

About 1-(difluoromethyl)indol-6-amine

1-(difluoromethyl)indol-6-amine (PubChem CID 122163999) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(difluoromethyl)indol-6-amine.

Molecular Properties

Compound Name1-(difluoromethyl)indol-6-amine
PubChem CID122163999
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name1-(difluoromethyl)indol-6-amine
SMILESNc1ccc2ccn(C(F)F)c2c1
InChIInChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-1-2-7(12)5-8(6)13/h1-5,9H,12H2
InChIKeyLZQMPJLYQTUYBB-UHFFFAOYSA-N
XLogP2.62
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
1-Methyl-1H-indole-3-ethylamine
CID 23492
5-Aminoquinoline
CID 11911
Tryptamine hydrochloride
CID 67652

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)indol-6-amine?
The IUPAC name of 1-(difluoromethyl)indol-6-amine (CID 122163999) is 1-(difluoromethyl)indol-6-amine.
What is the SMILES notation for 1-(difluoromethyl)indol-6-amine?
The canonical SMILES for 1-(difluoromethyl)indol-6-amine is Nc1ccc2ccn(C(F)F)c2c1.
What is the InChIKey of 1-(difluoromethyl)indol-6-amine?
The InChIKey is LZQMPJLYQTUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-1-2-7(12)5-8(6)13/h1-5,9H,12H2.
What are the key properties of 1-(difluoromethyl)indol-6-amine?
1-(difluoromethyl)indol-6-amine has a molecular weight of 182.17 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)indol-6-amine is sourced from PubChem (CID 122163999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).