1-(4-fluorobenzene-6-id-1-yl)isoquinoline

C15H9FN- — CID 102348692

IUPAC1-(4-fluorobenzene-6-id-1-yl)isoquinoline
SMILESFc1c[c-]c(-c2nccc3ccccc23)cc1
InChIInChI=1S/C15H9FN/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-5,7-10H/q-1
InChIKeyPMDXIUTWWSTVIF-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.84
Rot. Bonds1

About 1-(4-fluorobenzene-6-id-1-yl)isoquinoline

1-(4-fluorobenzene-6-id-1-yl)isoquinoline (PubChem CID 102348692) has the molecular formula C15H9FN- and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(4-fluorobenzene-6-id-1-yl)isoquinoline.

Molecular Properties

Compound Name1-(4-fluorobenzene-6-id-1-yl)isoquinoline
PubChem CID102348692
Molecular FormulaC15H9FN-
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name1-(4-fluorobenzene-6-id-1-yl)isoquinoline
SMILESFc1c[c-]c(-c2nccc3ccccc23)cc1
InChIInChI=1S/C15H9FN/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-5,7-10H/q-1
InChIKeyPMDXIUTWWSTVIF-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 58986707
bis(1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline);bis(iridium);dihydrate
CID 23547371
1-(4-butylbenzene-6-id-1-yl)isoquinoline;iridium
CID 58986664
chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline
CID 21024818
iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline
CID 59404042
CID 59340244
CID 59340244
iridium;pentane-2,4-diol;1-[4-(trifluoromethoxy)benzene-6-id-1-yl]isoquinoline
CID 58841512
10H-benzo[h]quinolin-10-ide;1-(4-ethenylbenzene-6-id-1-yl)isoquinoline;iridium
CID 59523930
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 160716172
1-(3,4-dimethylbenzene-6-id-1-yl)isoquinoline;1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline;tris(iridium);1-(3-methylbenzene-6-id-1-yl)isoquinoline
CID 160720301
1-(4-ethylphenyl)isoquinoline
CID 58184660

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzene-6-id-1-yl)isoquinoline?
The IUPAC name of 1-(4-fluorobenzene-6-id-1-yl)isoquinoline (CID 102348692) is 1-(4-fluorobenzene-6-id-1-yl)isoquinoline.
What is the SMILES notation for 1-(4-fluorobenzene-6-id-1-yl)isoquinoline?
The canonical SMILES for 1-(4-fluorobenzene-6-id-1-yl)isoquinoline is Fc1c[c-]c(-c2nccc3ccccc23)cc1.
What is the InChIKey of 1-(4-fluorobenzene-6-id-1-yl)isoquinoline?
The InChIKey is PMDXIUTWWSTVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-5,7-10H/q-1.
What are the key properties of 1-(4-fluorobenzene-6-id-1-yl)isoquinoline?
1-(4-fluorobenzene-6-id-1-yl)isoquinoline has a molecular weight of 222.24 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzene-6-id-1-yl)isoquinoline is sourced from PubChem (CID 102348692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).