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

C10H12FNO — CID 105439383

IUPAC5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOC1CNc2cccc(F)c2C1
InChIInChI=1S/C10H12FNO/c1-13-7-5-8-9(11)3-2-4-10(8)12-6-7/h2-4,7,12H,5-6H2,1H3
InChIKeyUOMKQRUIPURRPV-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.81
Rot. Bonds1

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

5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 105439383) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID105439383
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOC1CNc2cccc(F)c2C1
InChIInChI=1S/C10H12FNO/c1-13-7-5-8-9(11)3-2-4-10(8)12-6-7/h2-4,7,12H,5-6H2,1H3
InChIKeyUOMKQRUIPURRPV-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline (CID 105439383) is 5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline is COC1CNc2cccc(F)c2C1.
What is the InChIKey of 5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is UOMKQRUIPURRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-13-7-5-8-9(11)3-2-4-10(8)12-6-7/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline?
5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 181.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105439383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).