8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline

C13H18FNO — CID 115075715

IUPAC8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(F)COc1cccc2c1NCCC2
InChIInChI=1S/C13H18FNO/c1-13(2,14)9-16-11-7-3-5-10-6-4-8-15-12(10)11/h3,5,7,15H,4,6,8-9H2,1-2H3
InChIKeyVFVKFWFFYJAAJC-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.17
Rot. Bonds3

About 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline

8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 115075715) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID115075715
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(F)COc1cccc2c1NCCC2
InChIInChI=1S/C13H18FNO/c1-13(2,14)9-16-11-7-3-5-10-6-4-8-15-12(10)11/h3,5,7,15H,4,6,8-9H2,1-2H3
InChIKeyVFVKFWFFYJAAJC-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075184
1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol
CID 63901925
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-but-3-enoxy-1,2,3,4-tetrahydroquinoline
CID 10631987
8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
CID 61027161
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513
8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 107875268
8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115984072
8-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075706
3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
CID 54909170

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline (CID 115075715) is 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline is CC(C)(F)COc1cccc2c1NCCC2.
What is the InChIKey of 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is VFVKFWFFYJAAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2,14)9-16-11-7-3-5-10-6-4-8-15-12(10)11/h3,5,7,15H,4,6,8-9H2,1-2H3.
What are the key properties of 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline?
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 223.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).