ethane;8-fluoro-4-methylisoquinoline

C12H14FN — CID 167523042

IUPACethane;8-fluoro-4-methylisoquinoline
SMILESCC.Cc1cncc2c(F)cccc12
InChIInChI=1S/C10H8FN.C2H6/c1-7-5-12-6-9-8(7)3-2-4-10(9)11;1-2/h2-6H,1H3;1-2H3
InChIKeyMTNKCVBKFNCWFE-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.71
Rot. Bonds

About ethane;8-fluoro-4-methylisoquinoline

ethane;8-fluoro-4-methylisoquinoline (PubChem CID 167523042) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is ethane;8-fluoro-4-methylisoquinoline.

Molecular Properties

Compound Nameethane;8-fluoro-4-methylisoquinoline
PubChem CID167523042
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Nameethane;8-fluoro-4-methylisoquinoline
SMILESCC.Cc1cncc2c(F)cccc12
InChIInChI=1S/C10H8FN.C2H6/c1-7-5-12-6-9-8(7)3-2-4-10(9)11;1-2/h2-6H,1H3;1-2H3
InChIKeyMTNKCVBKFNCWFE-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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Related Compounds

4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine
CID 129292222
ethane;5-fluoro-3-methylquinoline
CID 156751037
5-fluoro-8-methylisoquinoline
CID 125425947
1,5-dimethylnaphthalene
CID 162159355
1,2-difluoro-5-methylnaphthalene
CID 54417712
(2,6-difluorophenoxy)-dimethylalumane
CID 139709302
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
3-chloro-5-(2,6-difluorophenoxy)pyridine
CID 141409360
4-fluoro-1,5-dimethylisoquinoline
CID 167603940
ethane;6-fluoro-4,5-dimethylisoquinoline
CID 171535835
1-ethyl-5-fluoro-2-methylnaphthalene
CID 146553959
4-fluoro-8-(methoxymethyl)isoquinoline
CID 176672593

Frequently Asked Questions

What is the IUPAC name of ethane;8-fluoro-4-methylisoquinoline?
The IUPAC name of ethane;8-fluoro-4-methylisoquinoline (CID 167523042) is ethane;8-fluoro-4-methylisoquinoline.
What is the SMILES notation for ethane;8-fluoro-4-methylisoquinoline?
The canonical SMILES for ethane;8-fluoro-4-methylisoquinoline is CC.Cc1cncc2c(F)cccc12.
What is the InChIKey of ethane;8-fluoro-4-methylisoquinoline?
The InChIKey is MTNKCVBKFNCWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN.C2H6/c1-7-5-12-6-9-8(7)3-2-4-10(9)11;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;8-fluoro-4-methylisoquinoline?
ethane;8-fluoro-4-methylisoquinoline 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;8-fluoro-4-methylisoquinoline is sourced from PubChem (CID 167523042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).