8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole

C12H14FN — CID 83877829

IUPAC8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole
SMILESFc1ccc2c(c1)C1NCCC1CC2
InChIInChI=1S/C12H14FN/c13-10-4-3-8-1-2-9-5-6-14-12(9)11(8)7-10/h3-4,7,9,12,14H,1-2,5-6H2
InChIKeyQESAGNXIFNFUAQ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.42
Rot. Bonds

About 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole

8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole (PubChem CID 83877829) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole.

Molecular Properties

Compound Name8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole
PubChem CID83877829
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole
SMILESFc1ccc2c(c1)C1NCCC1CC2
InChIInChI=1S/C12H14FN/c13-10-4-3-8-1-2-9-5-6-14-12(9)11(8)7-10/h3-4,7,9,12,14H,1-2,5-6H2
InChIKeyQESAGNXIFNFUAQ-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole?
The IUPAC name of 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole (CID 83877829) is 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole.
What is the SMILES notation for 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole?
The canonical SMILES for 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole is Fc1ccc2c(c1)C1NCCC1CC2.
What is the InChIKey of 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole?
The InChIKey is QESAGNXIFNFUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-10-4-3-8-1-2-9-5-6-14-12(9)11(8)7-10/h3-4,7,9,12,14H,1-2,5-6H2.
What are the key properties of 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole?
8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole has a molecular weight of 191.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole is sourced from PubChem (CID 83877829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).