(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline

C10H14FN — CID 170294076

IUPAC(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
SMILESC[C@@H]1CC[C@H](F)C2=CCCN=C21
InChIInChI=1S/C10H14FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h3,7,9H,2,4-6H2,1H3/t7-,9+/m1/s1
InChIKeyFKKCJLSIQRGALL-APPZFPTMSA-N
MW167.23 g/mol
LogP2.53
Rot. Bonds

About (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline

(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline (PubChem CID 170294076) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Name(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
PubChem CID170294076
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
SMILESC[C@@H]1CC[C@H](F)C2=CCCN=C21
InChIInChI=1S/C10H14FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h3,7,9H,2,4-6H2,1H3/t7-,9+/m1/s1
InChIKeyFKKCJLSIQRGALL-APPZFPTMSA-N
XLogP2.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline?
The IUPAC name of (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline (CID 170294076) is (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline.
What is the SMILES notation for (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline?
The canonical SMILES for (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline is C[C@@H]1CC[C@H](F)C2=CCCN=C21.
What is the InChIKey of (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline?
The InChIKey is FKKCJLSIQRGALL-APPZFPTMSA-N. The full InChI is InChI=1S/C10H14FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h3,7,9H,2,4-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline?
(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline has a molecular weight of 167.23 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline is sourced from PubChem (CID 170294076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).