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

C9H12FN — CID 174141813

IUPAC(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline
SMILESF[C@H]1CCCC2=NCCC=C21
InChIInChI=1S/C9H12FN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h3,8H,1-2,4-6H2/t8-/m0/s1
InChIKeyPPSQUJRCTHBNNF-QMMMGPOBSA-N
MW153.20 g/mol
LogP2.28
Rot. Bonds

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

(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline (PubChem CID 174141813) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Name(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline
PubChem CID174141813
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline
SMILESF[C@H]1CCCC2=NCCC=C21
InChIInChI=1S/C9H12FN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h3,8H,1-2,4-6H2/t8-/m0/s1
InChIKeyPPSQUJRCTHBNNF-QMMMGPOBSA-N
XLogP2.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline?
The IUPAC name of (5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline (CID 174141813) is (5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline.
What is the SMILES notation for (5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline?
The canonical SMILES for (5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline is F[C@H]1CCCC2=NCCC=C21.
What is the InChIKey of (5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline?
The InChIKey is PPSQUJRCTHBNNF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12FN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h3,8H,1-2,4-6H2/t8-/m0/s1.
What are the key properties of (5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline?
(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline has a molecular weight of 153.20 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline is sourced from PubChem (CID 174141813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).