5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine

C18H18F6N2O3 — CID 57449137

IUPAC5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
SMILESFC(F)(F)c1ccc(OCCCOCCCOc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C18H18F6N2O3/c19-17(20,21)13-3-5-15(25-11-13)28-9-1-7-27-8-2-10-29-16-6-4-14(12-26-16)18(22,23)24/h3-6,11-12H,1-2,7-10H2
InChIKeyHZTZQXIQEUKCQN-UHFFFAOYSA-N
MW424.34 g/mol
LogP4.77
Rot. Bonds10

About 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine

5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine (PubChem CID 57449137) has the molecular formula C18H18F6N2O3 and a molecular weight of 424.34 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
PubChem CID57449137
Molecular FormulaC18H18F6N2O3
Molecular Weight424.34 g/mol
Exact Mass424.12
IUPAC Name5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
SMILESFC(F)(F)c1ccc(OCCCOCCCOc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C18H18F6N2O3/c19-17(20,21)13-3-5-15(25-11-13)28-9-1-7-27-8-2-10-29-16-6-4-14(12-26-16)18(22,23)24/h3-6,11-12H,1-2,7-10H2
InChIKeyHZTZQXIQEUKCQN-UHFFFAOYSA-N
XLogP4.77
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol
CID 18504619
3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol
CID 18504580
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
1-cyclopropyl-1-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]guanidine;hydroiodide
CID 110031641
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
[5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate
CID 86171784
(1R,4S,6R)-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-azabicyclo[4.1.0]heptane
CID 66742245
1,2-dimethyl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]guanidine;hydroiodide
CID 86779149
2-[3-[4-(3,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenoxy]propoxy]-5-(trifluoromethyl)pyridine
CID 139730213
5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile
CID 133491410

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine?
The IUPAC name of 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine (CID 57449137) is 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine.
What is the SMILES notation for 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine?
The canonical SMILES for 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine is FC(F)(F)c1ccc(OCCCOCCCOc2ccc(C(F)(F)F)cn2)nc1.
What is the InChIKey of 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine?
The InChIKey is HZTZQXIQEUKCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N2O3/c19-17(20,21)13-3-5-15(25-11-13)28-9-1-7-27-8-2-10-29-16-6-4-14(12-26-16)18(22,23)24/h3-6,11-12H,1-2,7-10H2.
What are the key properties of 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine?
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine has a molecular weight of 424.34 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine is sourced from PubChem (CID 57449137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).