5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline

C10H12FNO — CID 84657910

IUPAC5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(F)c2c1NCCC2
InChIInChI=1S/C10H12FNO/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h4-5,12H,2-3,6H2,1H3
InChIKeyIFZPPXGTMNUUBP-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.19
Rot. Bonds1

About 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline

5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 84657910) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID84657910
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(F)c2c1NCCC2
InChIInChI=1S/C10H12FNO/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h4-5,12H,2-3,6H2,1H3
InChIKeyIFZPPXGTMNUUBP-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline (CID 84657910) is 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline is COc1ccc(F)c2c1NCCC2.
What is the InChIKey of 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is IFZPPXGTMNUUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h4-5,12H,2-3,6H2,1H3.
What are the key properties of 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline?
5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 181.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 84657910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).