5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline

C13H18FNO — CID 115075184

IUPAC5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(F)COc1cccc2c1CCCN2
InChIInChI=1S/C13H18FNO/c1-13(2,14)9-16-12-7-3-6-11-10(12)5-4-8-15-11/h3,6-7,15H,4-5,8-9H2,1-2H3
InChIKeyLEVBDBUZNRWOEH-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.17
Rot. Bonds3

About 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline

5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 115075184) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID115075184
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(F)COc1cccc2c1CCCN2
InChIInChI=1S/C13H18FNO/c1-13(2,14)9-16-12-7-3-6-11-10(12)5-4-8-15-11/h3,6-7,15H,4-5,8-9H2,1-2H3
InChIKeyLEVBDBUZNRWOEH-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline (CID 115075184) is 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline is CC(C)(F)COc1cccc2c1CCCN2.
What is the InChIKey of 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LEVBDBUZNRWOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2,14)9-16-12-7-3-6-11-10(12)5-4-8-15-11/h3,6-7,15H,4-5,8-9H2,1-2H3.
What are the key properties of 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline?
5-(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 5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).