4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride

C8H8ClF2N — CID 53421763

IUPAC4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Fc1cc(F)c2c(c1)NCC2
InChIInChI=1S/C8H7F2N.ClH/c9-5-3-7(10)6-1-2-11-8(6)4-5;/h3-4,11H,1-2H2;1H
InChIKeyNDOHUXUMZLPCPV-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.35
Rot. Bonds

About 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride

4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 53421763) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride
PubChem CID53421763
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Fc1cc(F)c2c(c1)NCC2
InChIInChI=1S/C8H7F2N.ClH/c9-5-3-7(10)6-1-2-11-8(6)4-5;/h3-4,11H,1-2H2;1H
InChIKeyNDOHUXUMZLPCPV-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride (CID 53421763) is 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride is Cl.Fc1cc(F)c2c(c1)NCC2.
What is the InChIKey of 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is NDOHUXUMZLPCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N.ClH/c9-5-3-7(10)6-1-2-11-8(6)4-5;/h3-4,11H,1-2H2;1H.
What are the key properties of 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride?
4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 191.61 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 53421763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).