4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole

C10H16FNO — CID 123278786

IUPAC4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole
SMILESCC(F)OC1=CCCC2NCCC12
InChIInChI=1S/C10H16FNO/c1-7(11)13-10-4-2-3-9-8(10)5-6-12-9/h4,7-9,12H,2-3,5-6H2,1H3
InChIKeyBMAHCYAVNBUQOT-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.97
Rot. Bonds2

About 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole

4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole (PubChem CID 123278786) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole.

Molecular Properties

Compound Name4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole
PubChem CID123278786
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole
SMILESCC(F)OC1=CCCC2NCCC12
InChIInChI=1S/C10H16FNO/c1-7(11)13-10-4-2-3-9-8(10)5-6-12-9/h4,7-9,12H,2-3,5-6H2,1H3
InChIKeyBMAHCYAVNBUQOT-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole?
The IUPAC name of 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole (CID 123278786) is 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole.
What is the SMILES notation for 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole?
The canonical SMILES for 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole is CC(F)OC1=CCCC2NCCC12.
What is the InChIKey of 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole?
The InChIKey is BMAHCYAVNBUQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7(11)13-10-4-2-3-9-8(10)5-6-12-9/h4,7-9,12H,2-3,5-6H2,1H3.
What are the key properties of 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole?
4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole has a molecular weight of 185.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethoxy)-2,3,3a,6,7,7a-hexahydro-1H-indole is sourced from PubChem (CID 123278786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).