ethane;7-fluoro-4-methylquinoline

C12H14FN — CID 142037193

IUPACethane;7-fluoro-4-methylquinoline
SMILESCC.Cc1ccnc2cc(F)ccc12
InChIInChI=1S/C10H8FN.C2H6/c1-7-4-5-12-10-6-8(11)2-3-9(7)10;1-2/h2-6H,1H3;1-2H3
InChIKeyXWUBZAAPJGIZQP-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.71
Rot. Bonds

About ethane;7-fluoro-4-methylquinoline

ethane;7-fluoro-4-methylquinoline (PubChem CID 142037193) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is ethane;7-fluoro-4-methylquinoline.

Molecular Properties

Compound Nameethane;7-fluoro-4-methylquinoline
PubChem CID142037193
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Nameethane;7-fluoro-4-methylquinoline
SMILESCC.Cc1ccnc2cc(F)ccc12
InChIInChI=1S/C10H8FN.C2H6/c1-7-4-5-12-10-6-8(11)2-3-9(7)10;1-2/h2-6H,1H3;1-2H3
InChIKeyXWUBZAAPJGIZQP-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-4-methylquinoline?
The IUPAC name of ethane;7-fluoro-4-methylquinoline (CID 142037193) is ethane;7-fluoro-4-methylquinoline.
What is the SMILES notation for ethane;7-fluoro-4-methylquinoline?
The canonical SMILES for ethane;7-fluoro-4-methylquinoline is CC.Cc1ccnc2cc(F)ccc12.
What is the InChIKey of ethane;7-fluoro-4-methylquinoline?
The InChIKey is XWUBZAAPJGIZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN.C2H6/c1-7-4-5-12-10-6-8(11)2-3-9(7)10;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-4-methylquinoline?
ethane;7-fluoro-4-methylquinoline has a molecular weight of 191.25 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-4-methylquinoline is sourced from PubChem (CID 142037193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).