5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline

C14H12FNS — CID 168869357

IUPAC5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline
SMILESCc1sccc1C1=NCCc2c(F)cccc21
InChIInChI=1S/C14H12FNS/c1-9-10(6-8-17-9)14-12-3-2-4-13(15)11(12)5-7-16-14/h2-4,6,8H,5,7H2,1H3
InChIKeyROHTUUJRVCTXJS-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.59
Rot. Bonds1

About 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline

5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline (PubChem CID 168869357) has the molecular formula C14H12FNS and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline
PubChem CID168869357
Molecular FormulaC14H12FNS
Molecular Weight245.32 g/mol
Exact Mass245.07
IUPAC Name5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline
SMILESCc1sccc1C1=NCCc2c(F)cccc21
InChIInChI=1S/C14H12FNS/c1-9-10(6-8-17-9)14-12-3-2-4-13(15)11(12)5-7-16-14/h2-4,6,8H,5,7H2,1H3
InChIKeyROHTUUJRVCTXJS-UHFFFAOYSA-N
XLogP3.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline?
The IUPAC name of 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline (CID 168869357) is 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline?
The canonical SMILES for 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline is Cc1sccc1C1=NCCc2c(F)cccc21.
What is the InChIKey of 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline?
The InChIKey is ROHTUUJRVCTXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNS/c1-9-10(6-8-17-9)14-12-3-2-4-13(15)11(12)5-7-16-14/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline?
5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline has a molecular weight of 245.32 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 168869357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).