5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride

C8H8ClF2N — CID 71303632

IUPAC5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Fc1cc(F)c2c(c1)CCN2
InChIInChI=1S/C8H7F2N.ClH/c9-6-3-5-1-2-11-8(5)7(10)4-6;/h3-4,11H,1-2H2;1H
InChIKeyJDXCHUPNYXAFAD-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.35
Rot. Bonds

About 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride

5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 71303632) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride
PubChem CID71303632
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Fc1cc(F)c2c(c1)CCN2
InChIInChI=1S/C8H7F2N.ClH/c9-6-3-5-1-2-11-8(5)7(10)4-6;/h3-4,11H,1-2H2;1H
InChIKeyJDXCHUPNYXAFAD-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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Related Compounds

Indoline
CID 10328
2-Methylindoline
CID 23305
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
Indolin-6-ylamine hydrochloride
CID 34184
5-Fluoroindoline
CID 2774463
2,3,3-Trimethylindoline
CID 10942760
(S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735305
1H-Indole, 2,3-dihydro-1-(trifluoromethyl)-
CID 10877857
2-(2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11074217
2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine
CID 1072384

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride (CID 71303632) is 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride is Cl.Fc1cc(F)c2c(c1)CCN2.
What is the InChIKey of 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is JDXCHUPNYXAFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N.ClH/c9-6-3-5-1-2-11-8(5)7(10)4-6;/h3-4,11H,1-2H2;1H.
What are the key properties of 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride?
5,7-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 5,7-difluoro-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 71303632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).