5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole

C14H19F2N — CID 106985694

IUPAC5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole
SMILESCCCCCCC1CNc2c(F)cc(F)cc21
InChIInChI=1S/C14H19F2N/c1-2-3-4-5-6-10-9-17-14-12(10)7-11(15)8-13(14)16/h7-8,10,17H,2-6,9H2,1H3
InChIKeyXHJKBPICJKORME-UHFFFAOYSA-N
MW239.31 g/mol
LogP4.44
Rot. Bonds5

About 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole

5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole (PubChem CID 106985694) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole
PubChem CID106985694
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole
SMILESCCCCCCC1CNc2c(F)cc(F)cc21
InChIInChI=1S/C14H19F2N/c1-2-3-4-5-6-10-9-17-14-12(10)7-11(15)8-13(14)16/h7-8,10,17H,2-6,9H2,1H3
InChIKeyXHJKBPICJKORME-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole?
The IUPAC name of 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole (CID 106985694) is 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole is CCCCCCC1CNc2c(F)cc(F)cc21.
What is the InChIKey of 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole?
The InChIKey is XHJKBPICJKORME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-3-4-5-6-10-9-17-14-12(10)7-11(15)8-13(14)16/h7-8,10,17H,2-6,9H2,1H3.
What are the key properties of 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole?
5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole has a molecular weight of 239.31 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).