2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline

C11H14FN — CID 130413096

IUPAC2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline
SMILESCCC1=NC2CC=C(F)CC2C=C1
InChIInChI=1S/C11H14FN/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10/h3-5,8,11H,2,6-7H2,1H3
InChIKeyKKDZAQCGKDPUNU-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.04
Rot. Bonds1

About 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline

2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline (PubChem CID 130413096) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline
PubChem CID130413096
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline
SMILESCCC1=NC2CC=C(F)CC2C=C1
InChIInChI=1S/C11H14FN/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10/h3-5,8,11H,2,6-7H2,1H3
InChIKeyKKDZAQCGKDPUNU-UHFFFAOYSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline?
The IUPAC name of 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline (CID 130413096) is 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline.
What is the SMILES notation for 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline?
The canonical SMILES for 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline is CCC1=NC2CC=C(F)CC2C=C1.
What is the InChIKey of 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline?
The InChIKey is KKDZAQCGKDPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10/h3-5,8,11H,2,6-7H2,1H3.
What are the key properties of 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline?
2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline has a molecular weight of 179.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline is sourced from PubChem (CID 130413096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).