2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C10H18FN — CID 145431755

IUPAC2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCCC1NC2CCCCC2C1F
InChIInChI=1S/C10H18FN/c1-2-8-10(11)7-5-3-4-6-9(7)12-8/h7-10,12H,2-6H2,1H3
InChIKeyHCUSGXIGKZTGMZ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.27
Rot. Bonds1

About 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 145431755) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID145431755
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCCC1NC2CCCCC2C1F
InChIInChI=1S/C10H18FN/c1-2-8-10(11)7-5-3-4-6-9(7)12-8/h7-10,12H,2-6H2,1H3
InChIKeyHCUSGXIGKZTGMZ-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 145431755) is 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is CCC1NC2CCCCC2C1F.
What is the InChIKey of 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is HCUSGXIGKZTGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-2-8-10(11)7-5-3-4-6-9(7)12-8/h7-10,12H,2-6H2,1H3.
What are the key properties of 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 171.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 145431755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).