5,6-difluoro-2,3,4,5-tetrahydro-1H-indole

C8H9F2N — CID 147930375

IUPAC5,6-difluoro-2,3,4,5-tetrahydro-1H-indole
SMILESFC1=CC2=C(CCN2)CC1F
InChIInChI=1S/C8H9F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h4,6,11H,1-3H2
InChIKeyIJTDLURYUPIXBP-UHFFFAOYSA-N
MW157.16 g/mol
LogP1.83
Rot. Bonds

About 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole

5,6-difluoro-2,3,4,5-tetrahydro-1H-indole (PubChem CID 147930375) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole.

Molecular Properties

Compound Name5,6-difluoro-2,3,4,5-tetrahydro-1H-indole
PubChem CID147930375
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name5,6-difluoro-2,3,4,5-tetrahydro-1H-indole
SMILESFC1=CC2=C(CCN2)CC1F
InChIInChI=1S/C8H9F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h4,6,11H,1-3H2
InChIKeyIJTDLURYUPIXBP-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline
CID 134963478
5,6,7-Tetrahydroindole
CID 19835372
5,6-Dihydrotryptamine
CID 67559680
Benz[ed]indolin
CID 129647852
6-fluoro-2,3,4,8,8a,9-hexahydro-1H-carbazole
CID 68243922
4-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 70267953
(1R)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 89293523
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202
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
(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine
CID 129150659
(3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine
CID 135193072

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole?
The IUPAC name of 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole (CID 147930375) is 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole.
What is the SMILES notation for 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole?
The canonical SMILES for 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole is FC1=CC2=C(CCN2)CC1F.
What is the InChIKey of 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole?
The InChIKey is IJTDLURYUPIXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h4,6,11H,1-3H2.
What are the key properties of 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole?
5,6-difluoro-2,3,4,5-tetrahydro-1H-indole has a molecular weight of 157.16 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2,3,4,5-tetrahydro-1H-indole is sourced from PubChem (CID 147930375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).