4,4-difluoro-2H-indol-1-amine

C8H8F2N2 — CID 158200057

IUPAC4,4-difluoro-2H-indol-1-amine
SMILESNN1CC=C2C1=CC=CC2(F)F
InChIInChI=1S/C8H8F2N2/c9-8(10)4-1-2-7-6(8)3-5-12(7)11/h1-4H,5,11H2
InChIKeyGAUZRSFDCUYJMR-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.19
Rot. Bonds

About 4,4-difluoro-2H-indol-1-amine

4,4-difluoro-2H-indol-1-amine (PubChem CID 158200057) has the molecular formula C8H8F2N2 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4,4-difluoro-2H-indol-1-amine.

Molecular Properties

Compound Name4,4-difluoro-2H-indol-1-amine
PubChem CID158200057
Molecular FormulaC8H8F2N2
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC Name4,4-difluoro-2H-indol-1-amine
SMILESNN1CC=C2C1=CC=CC2(F)F
InChIInChI=1S/C8H8F2N2/c9-8(10)4-1-2-7-6(8)3-5-12(7)11/h1-4H,5,11H2
InChIKeyGAUZRSFDCUYJMR-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Fluoro-2,3,4,5-tetrahydroindol-1-amine
CID 89009830
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole;ethane
CID 143926110
4,4-difluoro-2H-indol-1-amine;hydrochloride
CID 158200056
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine
CID 142944784
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole
CID 143926111
3-(Difluoromethyl)-5-methyl-2-methylidenepyridin-1-amine
CID 159515003
5-Methyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 160530659
5,6-Dihydroindol-1-amine
CID 139471403
2,5,6,7-Tetrahydrocyclopenta[b]pyridin-1-amine
CID 141130699
1,2,6,7-Tetrahydrocarbazol-9-amine
CID 167298271

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2H-indol-1-amine?
The IUPAC name of 4,4-difluoro-2H-indol-1-amine (CID 158200057) is 4,4-difluoro-2H-indol-1-amine.
What is the SMILES notation for 4,4-difluoro-2H-indol-1-amine?
The canonical SMILES for 4,4-difluoro-2H-indol-1-amine is NN1CC=C2C1=CC=CC2(F)F.
What is the InChIKey of 4,4-difluoro-2H-indol-1-amine?
The InChIKey is GAUZRSFDCUYJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2/c9-8(10)4-1-2-7-6(8)3-5-12(7)11/h1-4H,5,11H2.
What are the key properties of 4,4-difluoro-2H-indol-1-amine?
4,4-difluoro-2H-indol-1-amine has a molecular weight of 170.16 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2H-indol-1-amine is sourced from PubChem (CID 158200057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).