8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane

C15H20F3N — CID 177201430

IUPAC8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane
SMILESCC.CC.Cc1ccnc2c(C(F)F)cc(F)cc12
InChIInChI=1S/C11H8F3N.2C2H6/c1-6-2-3-15-10-8(6)4-7(12)5-9(10)11(13)14;2*1-2/h2-5,11H,1H3;2*1-2H3
InChIKeyURNONEZEIQZEJE-UHFFFAOYSA-N
MW271.33 g/mol
LogP5.67
Rot. Bonds1

About 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane

8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane (PubChem CID 177201430) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane.

Molecular Properties

Compound Name8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane
PubChem CID177201430
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane
SMILESCC.CC.Cc1ccnc2c(C(F)F)cc(F)cc12
InChIInChI=1S/C11H8F3N.2C2H6/c1-6-2-3-15-10-8(6)4-7(12)5-9(10)11(13)14;2*1-2/h2-5,11H,1H3;2*1-2H3
InChIKeyURNONEZEIQZEJE-UHFFFAOYSA-N
XLogP5.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.33
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-difluoro-4-methylquinoline;ethane
CID 142378188
8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane
CID 177201817
3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine
CID 82576579
3-(6-fluoro-4-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577025
ethane;7-fluoro-4-methylquinoline
CID 142037193
6,8-dichloro-4-methylquinoline;ethane
CID 177201451
6,8-dichloro-4-methylquinoline;ethane
CID 177201180
3-(8-fluoro-4-methylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577023
1-(4-methylquinolin-8-yl)ethanol
CID 82575957
5,7-difluoro-1-methylisoquinoline;ethane
CID 177201481
4-methyl-6-methylsulfanylquinolin-8-amine
CID 609298
CID 157282826
CID 157282826

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane?
The IUPAC name of 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane (CID 177201430) is 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane.
What is the SMILES notation for 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane?
The canonical SMILES for 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane is CC.CC.Cc1ccnc2c(C(F)F)cc(F)cc12.
What is the InChIKey of 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane?
The InChIKey is URNONEZEIQZEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N.2C2H6/c1-6-2-3-15-10-8(6)4-7(12)5-9(10)11(13)14;2*1-2/h2-5,11H,1H3;2*1-2H3.
What are the key properties of 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane?
8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane has a molecular weight of 271.33 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane is sourced from PubChem (CID 177201430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).