5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride

C8H8Cl2FN — CID 135392566

IUPAC5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Fc1c(Cl)ccc2c1CCN2
InChIInChI=1S/C8H7ClFN.ClH/c9-6-1-2-7-5(8(6)10)3-4-11-7;/h1-2,11H,3-4H2;1H
InChIKeyZOOBELAFLMMWGC-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.87
Rot. Bonds

About 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride

5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 135392566) has the molecular formula C8H8Cl2FN and a molecular weight of 208.06 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride
PubChem CID135392566
Molecular FormulaC8H8Cl2FN
Molecular Weight208.06 g/mol
Exact Mass207.00
IUPAC Name5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Fc1c(Cl)ccc2c1CCN2
InChIInChI=1S/C8H7ClFN.ClH/c9-6-1-2-7-5(8(6)10)3-4-11-7;/h1-2,11H,3-4H2;1H
InChIKeyZOOBELAFLMMWGC-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 53418628
4-chloro-7-fluoro-2,3-dihydro-1H-indole
CID 16783865
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546
4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole
CID 18940897
4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 133056207
4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride
CID 53421763
4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
CID 116698400
8,9-dihydro-7H-pyrrolo[2,3-h]isoquinoline
CID 59469591
5-iodo-2,3-dihydro-1H-indol-4-ol
CID 71026845
4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride
CID 46941751
4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid
CID 117110506
5-chloro-4-fluoro-1-methyl-2,3-dihydroindole
CID 59466334

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride (CID 135392566) is 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride is Cl.Fc1c(Cl)ccc2c1CCN2.
What is the InChIKey of 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is ZOOBELAFLMMWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN.ClH/c9-6-1-2-7-5(8(6)10)3-4-11-7;/h1-2,11H,3-4H2;1H.
What are the key properties of 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride?
5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 208.06 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 135392566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).