6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole

C11H9ClFN — CID 69300451

IUPAC6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESFc1cc2c3c([nH]c2cc1Cl)CCC3
InChIInChI=1S/C11H9ClFN/c12-8-5-11-7(4-9(8)13)6-2-1-3-10(6)14-11/h4-5,14H,1-3H2
InChIKeyLHNWETKFZDEZTN-UHFFFAOYSA-N
MW209.65 g/mol
LogP3.45
Rot. Bonds

About 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole

6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 69300451) has the molecular formula C11H9ClFN and a molecular weight of 209.65 g/mol. Its IUPAC name is 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID69300451
Molecular FormulaC11H9ClFN
Molecular Weight209.65 g/mol
Exact Mass209.04
IUPAC Name6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESFc1cc2c3c([nH]c2cc1Cl)CCC3
InChIInChI=1S/C11H9ClFN/c12-8-5-11-7(4-9(8)13)6-2-1-3-10(6)14-11/h4-5,14H,1-3H2
InChIKeyLHNWETKFZDEZTN-UHFFFAOYSA-N
XLogP3.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 69300451) is 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole is Fc1cc2c3c([nH]c2cc1Cl)CCC3.
What is the InChIKey of 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is LHNWETKFZDEZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN/c12-8-5-11-7(4-9(8)13)6-2-1-3-10(6)14-11/h4-5,14H,1-3H2.
What are the key properties of 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole?
6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 209.65 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 69300451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).