5-fluoro-2,3,3a,4-tetrahydro-1H-indole

C8H10FN — CID 150133252

IUPAC5-fluoro-2,3,3a,4-tetrahydro-1H-indole
SMILESFC1=CC=C2NCCC2C1
InChIInChI=1S/C8H10FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,6,10H,3-5H2
InChIKeyFBRQPZRHIITZJM-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.74
Rot. Bonds

About 5-fluoro-2,3,3a,4-tetrahydro-1H-indole

5-fluoro-2,3,3a,4-tetrahydro-1H-indole (PubChem CID 150133252) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 5-fluoro-2,3,3a,4-tetrahydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-2,3,3a,4-tetrahydro-1H-indole
PubChem CID150133252
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name5-fluoro-2,3,3a,4-tetrahydro-1H-indole
SMILESFC1=CC=C2NCCC2C1
InChIInChI=1S/C8H10FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,6,10H,3-5H2
InChIKeyFBRQPZRHIITZJM-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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
2,3,3a,4,5,6-hexahydro-1H-indole
CID 20231123
Hexahydro-indenopyrrole
CID 67722793
Hexahydrocyclopenta[f]indole
CID 70115040
Tetrahydrobenzindole
CID 87369041
2-Aminotetrahydroindole
CID 137321249
1,2,2,3,3,3a,4-heptadeuterio-4H-indole
CID 140923187
Hexahydro-1h-benzo[f]indole
CID 141055518
3-fluoro-4-[(2R)-pyrrolidin-2-yl]cyclohexa-1,5-dien-1-amine
CID 68024007
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole
CID 123866645

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3,3a,4-tetrahydro-1H-indole?
The IUPAC name of 5-fluoro-2,3,3a,4-tetrahydro-1H-indole (CID 150133252) is 5-fluoro-2,3,3a,4-tetrahydro-1H-indole.
What is the SMILES notation for 5-fluoro-2,3,3a,4-tetrahydro-1H-indole?
The canonical SMILES for 5-fluoro-2,3,3a,4-tetrahydro-1H-indole is FC1=CC=C2NCCC2C1.
What is the InChIKey of 5-fluoro-2,3,3a,4-tetrahydro-1H-indole?
The InChIKey is FBRQPZRHIITZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,6,10H,3-5H2.
What are the key properties of 5-fluoro-2,3,3a,4-tetrahydro-1H-indole?
5-fluoro-2,3,3a,4-tetrahydro-1H-indole has a molecular weight of 139.17 g/mol, XLogP of 1.74, 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-tetrahydro-1H-indole is sourced from PubChem (CID 150133252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).