4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole

C8H10FN — CID 143402713

IUPAC4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole
SMILESFC1C=CC=C2CNCC21
InChIInChI=1S/C8H10FN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,7-8,10H,4-5H2
InChIKeyAKRHFTYDXZYVCD-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.04
Rot. Bonds

About 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole

4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole (PubChem CID 143402713) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole.

Molecular Properties

Compound Name4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole
PubChem CID143402713
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole
SMILESFC1C=CC=C2CNCC21
InChIInChI=1S/C8H10FN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,7-8,10H,4-5H2
InChIKeyAKRHFTYDXZYVCD-UHFFFAOYSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3a,7a-tetrahydro-1H-indole
CID 15821030
Tetrahydroindole
CID 18315885
Dihydroisoindoline
CID 18315888
2,3,3a,7a-tetrahydro-1H-isoindole
CID 19381776
Hexahydroisoindole
CID 53401231
2,3,4a,8a,9,9a-hexahydro-1H-benzo[f]isoindole
CID 54098426
Tetrahydrobenzindole
CID 87369041
1,2,2,3,3,3a,4-heptadeuterio-4H-indole
CID 140923187
4-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 70267953
3-[3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyrrolidine
CID 70944553
4-fluoro-2,3,3a,7a-tetrahydro-1H-isoindole
CID 89117890
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole?
The IUPAC name of 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole (CID 143402713) is 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole.
What is the SMILES notation for 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole?
The canonical SMILES for 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole is FC1C=CC=C2CNCC21.
What is the InChIKey of 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole?
The InChIKey is AKRHFTYDXZYVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,7-8,10H,4-5H2.
What are the key properties of 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole?
4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole has a molecular weight of 139.17 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole is sourced from PubChem (CID 143402713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).