(5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline

C10H14FN — CID 170296705

IUPAC(5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline
SMILESC[C@]1(F)CCCC2=NCCC=C21
InChIInChI=1S/C10H14FN/c1-10(11)6-2-5-9-8(10)4-3-7-12-9/h4H,2-3,5-7H2,1H3/t10-/m0/s1
InChIKeyWTEJDQFSYWIXNZ-JTQLQIEISA-N
MW167.23 g/mol
LogP2.67
Rot. Bonds

About (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline

(5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline (PubChem CID 170296705) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name(5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline
PubChem CID170296705
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline
SMILESC[C@]1(F)CCCC2=NCCC=C21
InChIInChI=1S/C10H14FN/c1-10(11)6-2-5-9-8(10)4-3-7-12-9/h4H,2-3,5-7H2,1H3/t10-/m0/s1
InChIKeyWTEJDQFSYWIXNZ-JTQLQIEISA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline?
The IUPAC name of (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline (CID 170296705) is (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline.
What is the SMILES notation for (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline?
The canonical SMILES for (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline is C[C@]1(F)CCCC2=NCCC=C21.
What is the InChIKey of (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline?
The InChIKey is WTEJDQFSYWIXNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14FN/c1-10(11)6-2-5-9-8(10)4-3-7-12-9/h4H,2-3,5-7H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline?
(5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline has a molecular weight of 167.23 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline is sourced from PubChem (CID 170296705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).