(6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline

C11H18FN — CID 137417390

IUPAC(6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
SMILESCC1C=CC2C[C@@H](F)CCC2N1C
InChIInChI=1S/C11H18FN/c1-8-3-4-9-7-10(12)5-6-11(9)13(8)2/h3-4,8-11H,5-7H2,1-2H3/t8?,9?,10-,11?/m0/s1
InChIKeyUXKVGBNQFMKARR-MWJCJQSMSA-N
MW183.27 g/mol
LogP2.38
Rot. Bonds

About (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline

(6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline (PubChem CID 137417390) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline.

Molecular Properties

Compound Name(6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
PubChem CID137417390
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
SMILESCC1C=CC2C[C@@H](F)CCC2N1C
InChIInChI=1S/C11H18FN/c1-8-3-4-9-7-10(12)5-6-11(9)13(8)2/h3-4,8-11H,5-7H2,1-2H3/t8?,9?,10-,11?/m0/s1
InChIKeyUXKVGBNQFMKARR-MWJCJQSMSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline?
The IUPAC name of (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline (CID 137417390) is (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline.
What is the SMILES notation for (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline?
The canonical SMILES for (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline is CC1C=CC2C[C@@H](F)CCC2N1C.
What is the InChIKey of (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline?
The InChIKey is UXKVGBNQFMKARR-MWJCJQSMSA-N. The full InChI is InChI=1S/C11H18FN/c1-8-3-4-9-7-10(12)5-6-11(9)13(8)2/h3-4,8-11H,5-7H2,1-2H3/t8?,9?,10-,11?/m0/s1.
What are the key properties of (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline?
(6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline has a molecular weight of 183.27 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline is sourced from PubChem (CID 137417390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).