5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline

C12H14F3N — CID 63386290

IUPAC5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(F)cc(F)c(F)c2C1
InChIInChI=1S/C12H14F3N/c1-2-3-7-4-8-11(15)9(13)5-10(14)12(8)16-6-7/h5,7,16H,2-4,6H2,1H3
InChIKeyIHJDRUSUSYZMTE-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.49
Rot. Bonds2

About 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline

5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline (PubChem CID 63386290) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline
PubChem CID63386290
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(F)cc(F)c(F)c2C1
InChIInChI=1S/C12H14F3N/c1-2-3-7-4-8-11(15)9(13)5-10(14)12(8)16-6-7/h5,7,16H,2-4,6H2,1H3
InChIKeyIHJDRUSUSYZMTE-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386235
5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386189
5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386466
5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 79193595
5,7,8-trifluoro-3-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 63386241
3-tert-butyl-5,7,8-trifluoro-1,2,3,4-tetrahydroquinoline
CID 63386242
3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386374
6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386153
7,8-dimethoxy-3-propyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 83002643
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole
CID 106985694
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
CID 139961519

Frequently Asked Questions

What is the IUPAC name of 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline (CID 63386290) is 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline is CCCC1CNc2c(F)cc(F)c(F)c2C1.
What is the InChIKey of 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is IHJDRUSUSYZMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-3-7-4-8-11(15)9(13)5-10(14)12(8)16-6-7/h5,7,16H,2-4,6H2,1H3.
What are the key properties of 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline?
5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 229.24 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).