2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine

C17H21F6NO — CID 173256047

IUPAC2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine
SMILESCC1(C)CCCC(C)(C)C1Oc1cc(C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C17H21F6NO/c1-14(2)6-5-7-15(3,4)13(14)25-12-9-10(16(18,19)20)8-11(24-12)17(21,22)23/h8-9,13H,5-7H2,1-4H3
InChIKeyIWNTUJIGHAUELR-UHFFFAOYSA-N
MW369.35 g/mol
LogP6.10
Rot. Bonds2

About 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine

2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine (PubChem CID 173256047) has the molecular formula C17H21F6NO and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine
PubChem CID173256047
Molecular FormulaC17H21F6NO
Molecular Weight369.35 g/mol
Exact Mass369.15
IUPAC Name2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine
SMILESCC1(C)CCCC(C)(C)C1Oc1cc(C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C17H21F6NO/c1-14(2)6-5-7-15(3,4)13(14)25-12-9-10(16(18,19)20)8-11(24-12)17(21,22)23/h8-9,13H,5-7H2,1-4H3
InChIKeyIWNTUJIGHAUELR-UHFFFAOYSA-N
XLogP6.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine (CID 173256047) is 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine is CC1(C)CCCC(C)(C)C1Oc1cc(C(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine?
The InChIKey is IWNTUJIGHAUELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F6NO/c1-14(2)6-5-7-15(3,4)13(14)25-12-9-10(16(18,19)20)8-11(24-12)17(21,22)23/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine?
2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine has a molecular weight of 369.35 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylcyclohexyl)oxy-4,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 173256047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).