6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline

C13H17F2NO3S — CID 124625585

IUPAC6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCO[C@H](C)CS(=O)(=O)N1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C13H17F2NO3S/c1-9(19-2)8-20(17,18)16-5-3-4-10-6-11(14)7-12(15)13(10)16/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyHYXFWXBJBMRUSU-SECBINFHSA-N
MW305.35 g/mol
LogP2.08
Rot. Bonds4

About 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline

6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 124625585) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID124625585
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCO[C@H](C)CS(=O)(=O)N1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C13H17F2NO3S/c1-9(19-2)8-20(17,18)16-5-3-4-10-6-11(14)7-12(15)13(10)16/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyHYXFWXBJBMRUSU-SECBINFHSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline (CID 124625585) is 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline is CO[C@H](C)CS(=O)(=O)N1CCCc2cc(F)cc(F)c21.
What is the InChIKey of 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is HYXFWXBJBMRUSU-SECBINFHSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-9(19-2)8-20(17,18)16-5-3-4-10-6-11(14)7-12(15)13(10)16/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline?
6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 305.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1-[(2R)-2-methoxypropyl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 124625585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).