(5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline

C11H14FN — CID 170296346

IUPAC(5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline
SMILESCc1cnc2c(c1)[C@@H](F)CC[C@H]2C
InChIInChI=1S/C11H14FN/c1-7-5-9-10(12)4-3-8(2)11(9)13-6-7/h5-6,8,10H,3-4H2,1-2H3/t8-,10+/m1/s1
InChIKeyDZNLBQORDLATRK-SCZZXKLOSA-N
MW179.24 g/mol
LogP3.30
Rot. Bonds

About (5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline

(5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline (PubChem CID 170296346) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline
PubChem CID170296346
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline
SMILESCc1cnc2c(c1)[C@@H](F)CC[C@H]2C
InChIInChI=1S/C11H14FN/c1-7-5-9-10(12)4-3-8(2)11(9)13-6-7/h5-6,8,10H,3-4H2,1-2H3/t8-,10+/m1/s1
InChIKeyDZNLBQORDLATRK-SCZZXKLOSA-N
XLogP3.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.30
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-3,8-dimethyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline (CID 170296346) is (5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline is Cc1cnc2c(c1)[C@@H](F)CC[C@H]2C.
What is the InChIKey of (5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is DZNLBQORDLATRK-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H14FN/c1-7-5-9-10(12)4-3-8(2)11(9)13-6-7/h5-6,8,10H,3-4H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline?
(5S,8R)-5-fluoro-3,8-dimethyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 179.24 g/mol, XLogP of 3.30, 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-3,8-dimethyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 170296346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).