8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline

C11H12F3NO — CID 16781925

IUPAC8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)COc1cccc2c1NCCC2
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-16-9-5-1-3-8-4-2-6-15-10(8)9/h1,3,5,15H,2,4,6-7H2
InChIKeyOBOHOSVPTKJNOV-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.99
Rot. Bonds2

About 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline

8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 16781925) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID16781925
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)COc1cccc2c1NCCC2
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-16-9-5-1-3-8-4-2-6-15-10(8)9/h1,3,5,15H,2,4,6-7H2
InChIKeyOBOHOSVPTKJNOV-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
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-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513
8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115984072
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 61026238
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
CID 61026655
8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 63423959

Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline (CID 16781925) is 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline is FC(F)(F)COc1cccc2c1NCCC2.
What is the InChIKey of 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is OBOHOSVPTKJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)7-16-9-5-1-3-8-4-2-6-15-10(8)9/h1,3,5,15H,2,4,6-7H2.
What are the key properties of 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline?
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 231.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 16781925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).