(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline

C10H11F2N — CID 138501498

IUPAC(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline
SMILESC[C@H]1CCC(F)(F)c2cccnc21
InChIInChI=1S/C10H11F2N/c1-7-4-5-10(11,12)8-3-2-6-13-9(7)8/h2-3,6-7H,4-5H2,1H3/t7-/m0/s1
InChIKeyKNXGSWWWSSNKDZ-ZETCQYMHSA-N
MW183.20 g/mol
LogP3.07
Rot. Bonds

About (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline

(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline (PubChem CID 138501498) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline.

Molecular Properties

Compound Name(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline
PubChem CID138501498
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline
SMILESC[C@H]1CCC(F)(F)c2cccnc21
InChIInChI=1S/C10H11F2N/c1-7-4-5-10(11,12)8-3-2-6-13-9(7)8/h2-3,6-7H,4-5H2,1H3/t7-/m0/s1
InChIKeyKNXGSWWWSSNKDZ-ZETCQYMHSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline?
The IUPAC name of (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline (CID 138501498) is (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline.
What is the SMILES notation for (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline?
The canonical SMILES for (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline is C[C@H]1CCC(F)(F)c2cccnc21.
What is the InChIKey of (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline?
The InChIKey is KNXGSWWWSSNKDZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F2N/c1-7-4-5-10(11,12)8-3-2-6-13-9(7)8/h2-3,6-7H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline?
(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline has a molecular weight of 183.20 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline is sourced from PubChem (CID 138501498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).