3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol

C11H14F3NO2 — CID 102707904

IUPAC3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
SMILESCOC(C)CC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-7(17-2)5-10(16)8-6-15-4-3-9(8)11(12,13)14/h3-4,6-7,10,16H,5H2,1-2H3
InChIKeyNTXVPICSHUFDEG-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.56
Rot. Bonds4

About 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol

3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol (PubChem CID 102707904) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
PubChem CID102707904
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
SMILESCOC(C)CC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-7(17-2)5-10(16)8-6-15-4-3-9(8)11(12,13)14/h3-4,6-7,10,16H,5H2,1-2H3
InChIKeyNTXVPICSHUFDEG-UHFFFAOYSA-N
XLogP2.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 103147785
(2-methoxy-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710239
2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102709143
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The IUPAC name of 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol (CID 102707904) is 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol.
What is the SMILES notation for 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The canonical SMILES for 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol is COC(C)CC(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The InChIKey is NTXVPICSHUFDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7(17-2)5-10(16)8-6-15-4-3-9(8)11(12,13)14/h3-4,6-7,10,16H,5H2,1-2H3.
What are the key properties of 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol has a molecular weight of 249.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol is sourced from PubChem (CID 102707904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).