1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol

C12H14F3NO2 — CID 63901925

IUPAC1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol
SMILESOC(COc1cccc2c1NCCC2)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10(17)7-18-9-5-1-3-8-4-2-6-16-11(8)9/h1,3,5,10,16-17H,2,4,6-7H2
InChIKeyOZEFCGJCNBAWGY-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.35
Rot. Bonds3

About 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol

1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol (PubChem CID 63901925) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol
PubChem CID63901925
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol
SMILESOC(COc1cccc2c1NCCC2)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10(17)7-18-9-5-1-3-8-4-2-6-16-11(8)9/h1,3,5,10,16-17H,2,4,6-7H2
InChIKeyOZEFCGJCNBAWGY-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol (CID 63901925) is 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol is OC(COc1cccc2c1NCCC2)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol?
The InChIKey is OZEFCGJCNBAWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)10(17)7-18-9-5-1-3-8-4-2-6-16-11(8)9/h1,3,5,10,16-17H,2,4,6-7H2.
What are the key properties of 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol?
1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol has a molecular weight of 261.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol is sourced from PubChem (CID 63901925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).