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

C8H9ClF2N2 — CID 158200056

IUPAC4,4-difluoro-2H-indol-1-amine;hydrochloride
SMILESCl.NN1CC=C2C1=CC=CC2(F)F
InChIInChI=1S/C8H8F2N2.ClH/c9-8(10)4-1-2-7-6(8)3-5-12(7)11;/h1-4H,5,11H2;1H
InChIKeyOUKIZARMNBDVKI-UHFFFAOYSA-N
MW206.62 g/mol
LogP1.61
Rot. Bonds

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

4,4-difluoro-2H-indol-1-amine;hydrochloride (PubChem CID 158200056) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is 4,4-difluoro-2H-indol-1-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-2H-indol-1-amine;hydrochloride
PubChem CID158200056
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC Name4,4-difluoro-2H-indol-1-amine;hydrochloride
SMILESCl.NN1CC=C2C1=CC=CC2(F)F
InChIInChI=1S/C8H8F2N2.ClH/c9-8(10)4-1-2-7-6(8)3-5-12(7)11;/h1-4H,5,11H2;1H
InChIKeyOUKIZARMNBDVKI-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 51.61
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
CID 143926111
4,4-difluoro-2H-indol-1-amine
CID 158200057
5,6-Dihydroindol-1-amine
CID 139471403

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2H-indol-1-amine;hydrochloride?
The IUPAC name of 4,4-difluoro-2H-indol-1-amine;hydrochloride (CID 158200056) is 4,4-difluoro-2H-indol-1-amine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-2H-indol-1-amine;hydrochloride?
The canonical SMILES for 4,4-difluoro-2H-indol-1-amine;hydrochloride is Cl.NN1CC=C2C1=CC=CC2(F)F.
What is the InChIKey of 4,4-difluoro-2H-indol-1-amine;hydrochloride?
The InChIKey is OUKIZARMNBDVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2.ClH/c9-8(10)4-1-2-7-6(8)3-5-12(7)11;/h1-4H,5,11H2;1H.
What are the key properties of 4,4-difluoro-2H-indol-1-amine;hydrochloride?
4,4-difluoro-2H-indol-1-amine;hydrochloride has a molecular weight of 206.62 g/mol, XLogP of 1.61, 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;hydrochloride is sourced from PubChem (CID 158200056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).