5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline

C11H19F2N — CID 105455498

IUPAC5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline
SMILESCC1(C)CC2NCCCC2C(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-10(2)6-9-8(4-3-5-14-9)11(12,13)7-10/h8-9,14H,3-7H2,1-2H3
InChIKeyKULIWKBLGGBGAU-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.81
Rot. Bonds

About 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline

5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline (PubChem CID 105455498) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline.

Molecular Properties

Compound Name5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline
PubChem CID105455498
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline
SMILESCC1(C)CC2NCCCC2C(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-10(2)6-9-8(4-3-5-14-9)11(12,13)7-10/h8-9,14H,3-7H2,1-2H3
InChIKeyKULIWKBLGGBGAU-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
2-(2-fluoro-2-methylcyclopentyl)piperidine
CID 131137648
7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
CID 143671086
2-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845216
(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 130792375
1',1',2',2'-tetramethylspiro[2,3,4,4a,6,7,8,8a-octahydro-1H-quinoline-5,3'-cyclopropane]
CID 140941153
2-(3-cyclopentyl-2,2-difluorocyclopropyl)pyrrolidine
CID 126845474
2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane
CID 138599466
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
2-(3,3-difluorocyclobutyl)azepane
CID 130834422
2-pyrrolidin-2-ylpiperidine
CID 14810994
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline?
The IUPAC name of 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline (CID 105455498) is 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline.
What is the SMILES notation for 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline?
The canonical SMILES for 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline is CC1(C)CC2NCCCC2C(F)(F)C1.
What is the InChIKey of 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline?
The InChIKey is KULIWKBLGGBGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-10(2)6-9-8(4-3-5-14-9)11(12,13)7-10/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline?
5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline has a molecular weight of 203.28 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-7,7-dimethyl-1,2,3,4,4a,6,8,8a-octahydroquinoline is sourced from PubChem (CID 105455498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).