2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline

C15H16FNS — CID 168966933

IUPAC2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(C)c(N2CCc3cc(F)ccc3C2)s1
InChIInChI=1S/C15H16FNS/c1-10-7-11(2)18-15(10)17-6-5-12-8-14(16)4-3-13(12)9-17/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyYKEBSPRVPZWZTA-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.07
Rot. Bonds1

About 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline

2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline (PubChem CID 168966933) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
PubChem CID168966933
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(C)c(N2CCc3cc(F)ccc3C2)s1
InChIInChI=1S/C15H16FNS/c1-10-7-11(2)18-15(10)17-6-5-12-8-14(16)4-3-13(12)9-17/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyYKEBSPRVPZWZTA-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline (CID 168966933) is 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline is Cc1cc(C)c(N2CCc3cc(F)ccc3C2)s1.
What is the InChIKey of 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
The InChIKey is YKEBSPRVPZWZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-10-7-11(2)18-15(10)17-6-5-12-8-14(16)4-3-13(12)9-17/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline has a molecular weight of 261.37 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 168966933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).