6-fluoro-2,3,4,5-tetrahydro-1H-isoindole

C8H10FN — CID 166553124

IUPAC6-fluoro-2,3,4,5-tetrahydro-1H-isoindole
SMILESFC1=CC2=C(CC1)CNC2
InChIInChI=1S/C8H10FN/c9-8-2-1-6-4-10-5-7(6)3-8/h3,10H,1-2,4-5H2
InChIKeyRCXWBIOUAMJLPH-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.53
Rot. Bonds

About 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole

6-fluoro-2,3,4,5-tetrahydro-1H-isoindole (PubChem CID 166553124) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole.

Molecular Properties

Compound Name6-fluoro-2,3,4,5-tetrahydro-1H-isoindole
PubChem CID166553124
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name6-fluoro-2,3,4,5-tetrahydro-1H-isoindole
SMILESFC1=CC2=C(CC1)CNC2
InChIInChI=1S/C8H10FN/c9-8-2-1-6-4-10-5-7(6)3-8/h3,10H,1-2,4-5H2
InChIKeyRCXWBIOUAMJLPH-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5-tetrahydro-1H-isoindole
CID 17907442
4-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 70267953
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
5-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 123448216
2-(4-fluorocyclohexa-1,3-dien-1-yl)-2,5-dihydro-1H-pyrrole
CID 123702371
1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 143114176
(E)-2-ethyl-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]but-2-en-1-amine
CID 143135338
4-fluoro-2,3,3a,4-tetrahydro-1H-isoindole
CID 143402713
2-(6-Fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
CID 143944881
1-[6-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-yl]-N-methylmethanamine
CID 144396961
(3E)-3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienylidene]piperidine
CID 144473733
N-[(3-fluorocyclohexa-1,3-dien-1-yl)methyl]ethanamine
CID 144504530

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole?
The IUPAC name of 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole (CID 166553124) is 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole.
What is the SMILES notation for 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole?
The canonical SMILES for 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole is FC1=CC2=C(CC1)CNC2.
What is the InChIKey of 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole?
The InChIKey is RCXWBIOUAMJLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-8-2-1-6-4-10-5-7(6)3-8/h3,10H,1-2,4-5H2.
What are the key properties of 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole?
6-fluoro-2,3,4,5-tetrahydro-1H-isoindole has a molecular weight of 139.17 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,4,5-tetrahydro-1H-isoindole is sourced from PubChem (CID 166553124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).