8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline

C12H16FNO — CID 117193718

IUPAC8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline
SMILESCOCC1(C)CCc2cccc(F)c2N1
InChIInChI=1S/C12H16FNO/c1-12(8-15-2)7-6-9-4-3-5-10(13)11(9)14-12/h3-5,14H,6-8H2,1-2H3
InChIKeyRCSGXAVSMRXFRE-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.59
Rot. Bonds2

About 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline

8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline (PubChem CID 117193718) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline
PubChem CID117193718
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline
SMILESCOCC1(C)CCc2cccc(F)c2N1
InChIInChI=1S/C12H16FNO/c1-12(8-15-2)7-6-9-4-3-5-10(13)11(9)14-12/h3-5,14H,6-8H2,1-2H3
InChIKeyRCSGXAVSMRXFRE-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-fluoro-2-methyl-3,4-dihydro-1H-quinolin-2-yl)methanol
CID 117193715
2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline
CID 84720107
2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole
CID 84718195
2-(methoxymethyl)-2,6-dimethyl-3,4-dihydro-1H-quinoline
CID 117193656
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
(3R)-3-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51777322
(2-methyl-3,4-dihydro-1H-quinolin-2-yl)methanol
CID 19963231
N-(2,3-difluorophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620409
7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849963
5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105464045
8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 102357907
7-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074940

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline (CID 117193718) is 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline is COCC1(C)CCc2cccc(F)c2N1.
What is the InChIKey of 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline?
The InChIKey is RCSGXAVSMRXFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(8-15-2)7-6-9-4-3-5-10(13)11(9)14-12/h3-5,14H,6-8H2,1-2H3.
What are the key properties of 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline?
8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline has a molecular weight of 209.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 117193718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).