4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol

C13H12F3NO — CID 64566378

IUPAC4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1cccc2cccnc12
InChIInChI=1S/C13H12F3NO/c14-13(15,16)7-6-11(18)10-5-1-3-9-4-2-8-17-12(9)10/h1-5,8,11,18H,6-7H2
InChIKeyFZVGZVGCIJUWRC-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.61
Rot. Bonds3

About 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol

4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol (PubChem CID 64566378) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol
PubChem CID64566378
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1cccc2cccnc12
InChIInChI=1S/C13H12F3NO/c14-13(15,16)7-6-11(18)10-5-1-3-9-4-2-8-17-12(9)10/h1-5,8,11,18H,6-7H2
InChIKeyFZVGZVGCIJUWRC-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
3-pyridin-4-yl-1-quinolin-8-ylpropan-1-ol
CID 105118771
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
3-methoxy-1-quinolin-8-ylbutan-1-ol
CID 113391294
2-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969349
2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
CID 65148875
3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
CID 81231735
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
2-cyclopentyl-1-quinolin-8-ylethanol
CID 65149248
3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol
CID 115826914
2-(1-methylimidazol-2-yl)-1-quinolin-8-ylethanol
CID 79744882
CID 172780589
CID 172780589

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol (CID 64566378) is 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol is OC(CCC(F)(F)F)c1cccc2cccnc12.
What is the InChIKey of 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol?
The InChIKey is FZVGZVGCIJUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)7-6-11(18)10-5-1-3-9-4-2-8-17-12(9)10/h1-5,8,11,18H,6-7H2.
What are the key properties of 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol?
4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol has a molecular weight of 255.24 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol is sourced from PubChem (CID 64566378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).