6,8-difluoro-4-methylquinoline;ethane

C12H13F2N — CID 142378188

IUPAC6,8-difluoro-4-methylquinoline;ethane
SMILESCC.Cc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C10H7F2N.C2H6/c1-6-2-3-13-10-8(6)4-7(11)5-9(10)12;1-2/h2-5H,1H3;1-2H3
InChIKeyIFNBASHRDOSQSI-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.85
Rot. Bonds

About 6,8-difluoro-4-methylquinoline;ethane

6,8-difluoro-4-methylquinoline;ethane (PubChem CID 142378188) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 6,8-difluoro-4-methylquinoline;ethane.

Molecular Properties

Compound Name6,8-difluoro-4-methylquinoline;ethane
PubChem CID142378188
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name6,8-difluoro-4-methylquinoline;ethane
SMILESCC.Cc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C10H7F2N.C2H6/c1-6-2-3-13-10-8(6)4-7(11)5-9(10)12;1-2/h2-5H,1H3;1-2H3
InChIKeyIFNBASHRDOSQSI-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane
CID 177201430
3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine
CID 82576579
6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190
5,7-difluoro-1-methylisoquinoline;ethane
CID 177201481
6,8-difluoro-4-methylcinnoline;ethane
CID 177201340
8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
CID 166666155
3-(6-fluoro-4-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577025
3-(8-fluoro-4-methylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577023
6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
CID 50878001
carbamic acid;6,8-difluoroquinolin-4-amine
CID 172800812
ethane;7-fluoro-4-methylquinoline
CID 142037193
6,8-dichloro-4-methylquinoline;ethane
CID 177201451

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-methylquinoline;ethane?
The IUPAC name of 6,8-difluoro-4-methylquinoline;ethane (CID 142378188) is 6,8-difluoro-4-methylquinoline;ethane.
What is the SMILES notation for 6,8-difluoro-4-methylquinoline;ethane?
The canonical SMILES for 6,8-difluoro-4-methylquinoline;ethane is CC.Cc1ccnc2c(F)cc(F)cc12.
What is the InChIKey of 6,8-difluoro-4-methylquinoline;ethane?
The InChIKey is IFNBASHRDOSQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N.C2H6/c1-6-2-3-13-10-8(6)4-7(11)5-9(10)12;1-2/h2-5H,1H3;1-2H3.
What are the key properties of 6,8-difluoro-4-methylquinoline;ethane?
6,8-difluoro-4-methylquinoline;ethane has a molecular weight of 209.24 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-methylquinoline;ethane is sourced from PubChem (CID 142378188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).