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

C8H12FN — CID 140575139

IUPAC7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
SMILESFC1CCCC2C=CNC12
InChIInChI=1S/C8H12FN/c9-7-3-1-2-6-4-5-10-8(6)7/h4-8,10H,1-3H2
InChIKeyIJTUCTSZHLBSQZ-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.61
Rot. Bonds

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

7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole (PubChem CID 140575139) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole.

Molecular Properties

Compound Name7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
PubChem CID140575139
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
SMILESFC1CCCC2C=CNC12
InChIInChI=1S/C8H12FN/c9-7-3-1-2-6-4-5-10-8(6)7/h4-8,10H,1-3H2
InChIKeyIJTUCTSZHLBSQZ-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 7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole?
The IUPAC name of 7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole (CID 140575139) is 7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole.
What is the SMILES notation for 7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole?
The canonical SMILES for 7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole is FC1CCCC2C=CNC12.
What is the InChIKey of 7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole?
The InChIKey is IJTUCTSZHLBSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c9-7-3-1-2-6-4-5-10-8(6)7/h4-8,10H,1-3H2.
What are the key properties of 7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole?
7-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 7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole is sourced from PubChem (CID 140575139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).