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

C8H14FN — CID 105428512

IUPAC5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
SMILESFC1CCC2CNCC2C1
InChIInChI=1S/C8H14FN/c9-8-2-1-6-4-10-5-7(6)3-8/h6-8,10H,1-5H2
InChIKeyUVWWAAVMFIUJLX-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.34
Rot. Bonds

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

5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole (PubChem CID 105428512) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole.

Molecular Properties

Compound Name5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
PubChem CID105428512
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
SMILESFC1CCC2CNCC2C1
InChIInChI=1S/C8H14FN/c9-8-2-1-6-4-10-5-7(6)3-8/h6-8,10H,1-5H2
InChIKeyUVWWAAVMFIUJLX-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole with MolForge

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Related Compounds

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CID 86330104
3-(3-fluorocyclobutyl)azetidine;hydrochloride
CID 155893833
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-5-thiol
CID 141422755
(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol
CID 74889665
5-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 130804480
(12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocycloundeca[c]pyrrole
CID 122625912
3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 140512684
N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-amine
CID 130794629
5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 130900561
(3R,5R)-3,5-difluoropiperidine
CID 96532302
3-cyclopropyl-5-methylpiperidine
CID 82594091
(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 96581815

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The IUPAC name of 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole (CID 105428512) is 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole.
What is the SMILES notation for 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The canonical SMILES for 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole is FC1CCC2CNCC2C1.
What is the InChIKey of 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The InChIKey is UVWWAAVMFIUJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c9-8-2-1-6-4-10-5-7(6)3-8/h6-8,10H,1-5H2.
What are the key properties of 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole has a molecular weight of 143.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole is sourced from PubChem (CID 105428512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).