6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline

C11H14FNO — CID 20562122

IUPAC6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOC1CC(C)Nc2ccc(F)cc21
InChIInChI=1S/C11H14FNO/c1-7-5-11(14-2)9-6-8(12)3-4-10(9)13-7/h3-4,6-7,11,13H,5H2,1-2H3
InChIKeyBBJKVTRZJRBGFH-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.72
Rot. Bonds1

About 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline

6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 20562122) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID20562122
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOC1CC(C)Nc2ccc(F)cc21
InChIInChI=1S/C11H14FNO/c1-7-5-11(14-2)9-6-8(12)3-4-10(9)13-7/h3-4,6-7,11,13H,5H2,1-2H3
InChIKeyBBJKVTRZJRBGFH-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline (CID 20562122) is 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline is COC1CC(C)Nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is BBJKVTRZJRBGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-5-11(14-2)9-6-8(12)3-4-10(9)13-7/h3-4,6-7,11,13H,5H2,1-2H3.
What are the key properties of 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 195.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 20562122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).