(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

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Related Compounds

(5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol
CID 170294723
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
8-methyl-5-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinoline
CID 145383942
5,5,6-trimethyl-7,8-dihydro-6H-quinoline
CID 143150763
methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate
CID 148941310
4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115419894
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
CID 100944087
3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
CID 159302986
8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline
CID 103984069
(5R,6S,9R)-5-chloro-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 58468013
(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 86311748
N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663756

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).