5,7-difluoro-1-methylisoquinoline;ethane

C12H13F2N — CID 177201481

IUPAC5,7-difluoro-1-methylisoquinoline;ethane
SMILESCC.Cc1nccc2c(F)cc(F)cc12
InChIInChI=1S/C10H7F2N.C2H6/c1-6-9-4-7(11)5-10(12)8(9)2-3-13-6;1-2/h2-5H,1H3;1-2H3
InChIKeyCZWADFGEKQQZTK-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.85
Rot. Bonds

About 5,7-difluoro-1-methylisoquinoline;ethane

5,7-difluoro-1-methylisoquinoline;ethane (PubChem CID 177201481) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 5,7-difluoro-1-methylisoquinoline;ethane.

Molecular Properties

Compound Name5,7-difluoro-1-methylisoquinoline;ethane
PubChem CID177201481
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name5,7-difluoro-1-methylisoquinoline;ethane
SMILESCC.Cc1nccc2c(F)cc(F)cc12
InChIInChI=1S/C10H7F2N.C2H6/c1-6-9-4-7(11)5-10(12)8(9)2-3-13-6;1-2/h2-5H,1H3;1-2H3
InChIKeyCZWADFGEKQQZTK-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

7-fluoro-1-methylisoquinoline-5-carbonitrile
CID 177201125
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine
CID 82577442
5,7-difluoro-1-methylphthalazine
CID 177201301
ethane;4-fluoro-2,3-dimethylpyridine
CID 176718154
5,8-difluoro-1-methylisoquinoline
CID 125458346
8-fluoro-1-methylisoquinolin-5-amine
CID 115014664
1,6-dimethylisoquinoline;ethane
CID 156751069
1,5,7,8-tetramethylisoquinoline
CID 163662855
CID 172615660
CID 172615660
1,3,9-trifluorophenanthrene
CID 123184846
8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane
CID 177201430

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-methylisoquinoline;ethane?
The IUPAC name of 5,7-difluoro-1-methylisoquinoline;ethane (CID 177201481) is 5,7-difluoro-1-methylisoquinoline;ethane.
What is the SMILES notation for 5,7-difluoro-1-methylisoquinoline;ethane?
The canonical SMILES for 5,7-difluoro-1-methylisoquinoline;ethane is CC.Cc1nccc2c(F)cc(F)cc12.
What is the InChIKey of 5,7-difluoro-1-methylisoquinoline;ethane?
The InChIKey is CZWADFGEKQQZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N.C2H6/c1-6-9-4-7(11)5-10(12)8(9)2-3-13-6;1-2/h2-5H,1H3;1-2H3.
What are the key properties of 5,7-difluoro-1-methylisoquinoline;ethane?
5,7-difluoro-1-methylisoquinoline;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 5,7-difluoro-1-methylisoquinoline;ethane is sourced from PubChem (CID 177201481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).