ethane;2-ethyl-6-fluoroquinoline

C13H16FN — CID 142538501

IUPACethane;2-ethyl-6-fluoroquinoline
SMILESCC.CCc1ccc2cc(F)ccc2n1
InChIInChI=1S/C11H10FN.C2H6/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyCYEMXOZFWJGOJF-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.96
Rot. Bonds1

About ethane;2-ethyl-6-fluoroquinoline

ethane;2-ethyl-6-fluoroquinoline (PubChem CID 142538501) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is ethane;2-ethyl-6-fluoroquinoline.

Molecular Properties

Compound Nameethane;2-ethyl-6-fluoroquinoline
PubChem CID142538501
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Nameethane;2-ethyl-6-fluoroquinoline
SMILESCC.CCc1ccc2cc(F)ccc2n1
InChIInChI=1S/C11H10FN.C2H6/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyCYEMXOZFWJGOJF-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6-fluoroquinoline?
The IUPAC name of ethane;2-ethyl-6-fluoroquinoline (CID 142538501) is ethane;2-ethyl-6-fluoroquinoline.
What is the SMILES notation for ethane;2-ethyl-6-fluoroquinoline?
The canonical SMILES for ethane;2-ethyl-6-fluoroquinoline is CC.CCc1ccc2cc(F)ccc2n1.
What is the InChIKey of ethane;2-ethyl-6-fluoroquinoline?
The InChIKey is CYEMXOZFWJGOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN.C2H6/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-6-fluoroquinoline?
ethane;2-ethyl-6-fluoroquinoline has a molecular weight of 205.28 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6-fluoroquinoline is sourced from PubChem (CID 142538501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).