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

C18H27F2N — CID 106986208

IUPAC3-decyl-5,7-difluoro-2,3-dihydro-1H-indole
SMILESCCCCCCCCCCC1CNc2c(F)cc(F)cc21
InChIInChI=1S/C18H27F2N/c1-2-3-4-5-6-7-8-9-10-14-13-21-18-16(14)11-15(19)12-17(18)20/h11-12,14,21H,2-10,13H2,1H3
InChIKeyWETJIEJGKYJUHA-UHFFFAOYSA-N
MW295.42 g/mol
LogP6.00
Rot. Bonds9

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

3-decyl-5,7-difluoro-2,3-dihydro-1H-indole (PubChem CID 106986208) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-decyl-5,7-difluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-decyl-5,7-difluoro-2,3-dihydro-1H-indole
PubChem CID106986208
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-decyl-5,7-difluoro-2,3-dihydro-1H-indole
SMILESCCCCCCCCCCC1CNc2c(F)cc(F)cc21
InChIInChI=1S/C18H27F2N/c1-2-3-4-5-6-7-8-9-10-14-13-21-18-16(14)11-15(19)12-17(18)20/h11-12,14,21H,2-10,13H2,1H3
InChIKeyWETJIEJGKYJUHA-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 56.00
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 3-decyl-5,7-difluoro-2,3-dihydro-1H-indole?
The IUPAC name of 3-decyl-5,7-difluoro-2,3-dihydro-1H-indole (CID 106986208) is 3-decyl-5,7-difluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-decyl-5,7-difluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 3-decyl-5,7-difluoro-2,3-dihydro-1H-indole is CCCCCCCCCCC1CNc2c(F)cc(F)cc21.
What is the InChIKey of 3-decyl-5,7-difluoro-2,3-dihydro-1H-indole?
The InChIKey is WETJIEJGKYJUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-2-3-4-5-6-7-8-9-10-14-13-21-18-16(14)11-15(19)12-17(18)20/h11-12,14,21H,2-10,13H2,1H3.
What are the key properties of 3-decyl-5,7-difluoro-2,3-dihydro-1H-indole?
3-decyl-5,7-difluoro-2,3-dihydro-1H-indole has a molecular weight of 295.42 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-5,7-difluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).