6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline

C11H14FNO2S — CID 2930586

IUPAC6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(C)(=O)=O
InChIInChI=1S/C11H14FNO2S/c1-8-3-4-9-7-10(12)5-6-11(9)13(8)16(2,14)15/h5-8H,3-4H2,1-2H3
InChIKeyKHILBRDQBPRGJI-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.93
Rot. Bonds1

About 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline

6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 2930586) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID2930586
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(C)(=O)=O
InChIInChI=1S/C11H14FNO2S/c1-8-3-4-9-7-10(12)5-6-11(9)13(8)16(2,14)15/h5-8H,3-4H2,1-2H3
InChIKeyKHILBRDQBPRGJI-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline (CID 2930586) is 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline is CC1CCc2cc(F)ccc2N1S(C)(=O)=O.
What is the InChIKey of 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is KHILBRDQBPRGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-8-3-4-9-7-10(12)5-6-11(9)13(8)16(2,14)15/h5-8H,3-4H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 243.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2930586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).