6,8-difluoro-4-methylcinnoline;ethane

C13H18F2N2 — CID 177201340

IUPAC6,8-difluoro-4-methylcinnoline;ethane
SMILESCC.CC.Cc1cnnc2c(F)cc(F)cc12
InChIInChI=1S/C9H6F2N2.2C2H6/c1-5-4-12-13-9-7(5)2-6(10)3-8(9)11;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyVGNLNSZAKMTDAF-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.27
Rot. Bonds

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

6,8-difluoro-4-methylcinnoline;ethane (PubChem CID 177201340) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6,8-difluoro-4-methylcinnoline;ethane.

Molecular Properties

Compound Name6,8-difluoro-4-methylcinnoline;ethane
PubChem CID177201340
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name6,8-difluoro-4-methylcinnoline;ethane
SMILESCC.CC.Cc1cnnc2c(F)cc(F)cc12
InChIInChI=1S/C9H6F2N2.2C2H6/c1-5-4-12-13-9-7(5)2-6(10)3-8(9)11;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyVGNLNSZAKMTDAF-UHFFFAOYSA-N
XLogP4.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
5,7-difluoro-1-methylphthalazine
CID 177201301
1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine
CID 82575777
3,8-difluoro-5-methyl-1,10-phenanthroline
CID 59318960
4-bromo-6,8-difluoro-2-methylquinazoline
CID 106584293
(6,8-difluoro-2-methylquinolin-4-yl)methanamine
CID 82507508
4-chloro-6,8-difluoro-3-iodo-2-methylquinoline
CID 121236848
5,7-difluoro-1-methylisoquinoline;ethane
CID 177201481
3,4-dibromo-6-fluoro-8-methylquinoline
CID 114763946
4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline
CID 63743382
8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane
CID 177201430

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-methylcinnoline;ethane?
The IUPAC name of 6,8-difluoro-4-methylcinnoline;ethane (CID 177201340) is 6,8-difluoro-4-methylcinnoline;ethane.
What is the SMILES notation for 6,8-difluoro-4-methylcinnoline;ethane?
The canonical SMILES for 6,8-difluoro-4-methylcinnoline;ethane is CC.CC.Cc1cnnc2c(F)cc(F)cc12.
What is the InChIKey of 6,8-difluoro-4-methylcinnoline;ethane?
The InChIKey is VGNLNSZAKMTDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2.2C2H6/c1-5-4-12-13-9-7(5)2-6(10)3-8(9)11;2*1-2/h2-4H,1H3;2*1-2H3.
What are the key properties of 6,8-difluoro-4-methylcinnoline;ethane?
6,8-difluoro-4-methylcinnoline;ethane has a molecular weight of 240.30 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-methylcinnoline;ethane is sourced from PubChem (CID 177201340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).