5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole

C8H12FN — CID 42608944

IUPAC5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
SMILESFC1CCC2NC=CC2C1
InChIInChI=1S/C8H12FN/c9-7-1-2-8-6(5-7)3-4-10-8/h3-4,6-8,10H,1-2,5H2
InChIKeyKULXCJHUXKGBSW-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.61
Rot. Bonds

About 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole

5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole (PubChem CID 42608944) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
PubChem CID42608944
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
SMILESFC1CCC2NC=CC2C1
InChIInChI=1S/C8H12FN/c9-7-1-2-8-6(5-7)3-4-10-8/h3-4,6-8,10H,1-2,5H2
InChIKeyKULXCJHUXKGBSW-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole?
The IUPAC name of 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole (CID 42608944) is 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole.
What is the SMILES notation for 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole?
The canonical SMILES for 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole is FC1CCC2NC=CC2C1.
What is the InChIKey of 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole?
The InChIKey is KULXCJHUXKGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c9-7-1-2-8-6(5-7)3-4-10-8/h3-4,6-8,10H,1-2,5H2.
What are the key properties of 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole?
5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole has a molecular weight of 141.19 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole is sourced from PubChem (CID 42608944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).