6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol

C24H26F3NO2 — CID 21280554

IUPAC6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol
SMILESCC(C)(CCCC(F)(F)F)C(O)c1cccc(OCc2ccnc3ccccc23)c1
InChIInChI=1S/C24H26F3NO2/c1-23(2,12-6-13-24(25,26)27)22(29)17-7-5-8-19(15-17)30-16-18-11-14-28-21-10-4-3-9-20(18)21/h3-5,7-11,14-15,22,29H,6,12-13,16H2,1-2H3
InChIKeyFQONKIIJKGGRDA-UHFFFAOYSA-N
MW417.47 g/mol
LogP6.61
Rot. Bonds8

About 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol

6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol (PubChem CID 21280554) has the molecular formula C24H26F3NO2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol
PubChem CID21280554
Molecular FormulaC24H26F3NO2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol
SMILESCC(C)(CCCC(F)(F)F)C(O)c1cccc(OCc2ccnc3ccccc23)c1
InChIInChI=1S/C24H26F3NO2/c1-23(2,12-6-13-24(25,26)27)22(29)17-7-5-8-19(15-17)30-16-18-11-14-28-21-10-4-3-9-20(18)21/h3-5,7-11,14-15,22,29H,6,12-13,16H2,1-2H3
InChIKeyFQONKIIJKGGRDA-UHFFFAOYSA-N
XLogP6.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol with MolForge

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Related Compounds

4-[(3-fluorophenoxy)methyl]quinoline
CID 79240471
[3-(quinolin-4-ylmethoxy)phenyl]boronic acid
CID 79231473
1-[3-[3-(1-hydroxy-2,2-dimethylhexyl)phenoxy]phenyl]-2,2-dimethylhexan-1-ol
CID 57000366
4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
CID 58044376
2-methyl-4-(quinolin-4-ylmethoxy)aniline
CID 79234978
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol
CID 83952092
(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
CID 79231192
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine
CID 79954929
1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216898
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol?
The IUPAC name of 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol (CID 21280554) is 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol.
What is the SMILES notation for 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol?
The canonical SMILES for 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol is CC(C)(CCCC(F)(F)F)C(O)c1cccc(OCc2ccnc3ccccc23)c1.
What is the InChIKey of 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol?
The InChIKey is FQONKIIJKGGRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3NO2/c1-23(2,12-6-13-24(25,26)27)22(29)17-7-5-8-19(15-17)30-16-18-11-14-28-21-10-4-3-9-20(18)21/h3-5,7-11,14-15,22,29H,6,12-13,16H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol?
6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol has a molecular weight of 417.47 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol is sourced from PubChem (CID 21280554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).