ethane;6-fluoro-4,5-dimethylisoquinoline

C13H16FN — CID 171535835

IUPACethane;6-fluoro-4,5-dimethylisoquinoline
SMILESCC.Cc1cncc2ccc(F)c(C)c12
InChIInChI=1S/C11H10FN.C2H6/c1-7-5-13-6-9-3-4-10(12)8(2)11(7)9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyUBWYMKKVKCKEGZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP4.02
Rot. Bonds

About ethane;6-fluoro-4,5-dimethylisoquinoline

ethane;6-fluoro-4,5-dimethylisoquinoline (PubChem CID 171535835) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is ethane;6-fluoro-4,5-dimethylisoquinoline.

Molecular Properties

Compound Nameethane;6-fluoro-4,5-dimethylisoquinoline
PubChem CID171535835
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Nameethane;6-fluoro-4,5-dimethylisoquinoline
SMILESCC.Cc1cncc2ccc(F)c(C)c12
InChIInChI=1S/C11H10FN.C2H6/c1-7-5-13-6-9-3-4-10(12)8(2)11(7)9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyUBWYMKKVKCKEGZ-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-4,5-dimethylisoquinoline?
The IUPAC name of ethane;6-fluoro-4,5-dimethylisoquinoline (CID 171535835) is ethane;6-fluoro-4,5-dimethylisoquinoline.
What is the SMILES notation for ethane;6-fluoro-4,5-dimethylisoquinoline?
The canonical SMILES for ethane;6-fluoro-4,5-dimethylisoquinoline is CC.Cc1cncc2ccc(F)c(C)c12.
What is the InChIKey of ethane;6-fluoro-4,5-dimethylisoquinoline?
The InChIKey is UBWYMKKVKCKEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN.C2H6/c1-7-5-13-6-9-3-4-10(12)8(2)11(7)9;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;6-fluoro-4,5-dimethylisoquinoline?
ethane;6-fluoro-4,5-dimethylisoquinoline has a molecular weight of 205.28 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-4,5-dimethylisoquinoline is sourced from PubChem (CID 171535835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).