2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine

C19H26F3NO — CID 166636784

IUPAC2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cccc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C19H26F3NO/c1-12(2)14-8-7-13(3)11-15(14)24-17-6-4-5-16(23-17)18(9-10-18)19(20,21)22/h4-6,12-15H,7-11H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyPAASYEILLJAIJJ-QLFBSQMISA-N
MW341.42 g/mol
LogP5.52
Rot. Bonds4

About 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine (PubChem CID 166636784) has the molecular formula C19H26F3NO and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine
PubChem CID166636784
Molecular FormulaC19H26F3NO
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cccc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C19H26F3NO/c1-12(2)14-8-7-13(3)11-15(14)24-17-6-4-5-16(23-17)18(9-10-18)19(20,21)22/h4-6,12-15H,7-11H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyPAASYEILLJAIJJ-QLFBSQMISA-N
XLogP5.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine with MolForge

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Related Compounds

2-(3-Cyclopropylmethoxy-phenylethynyl)-6-methyl-pyridine
CID 44392421
2-Methyl-6-phenylmethoxypyridine
CID 261829
US11261186, Example 168
CID 121447038
3bcHEtOFPyr
CID 139886254
2-[(4-Phenylphenyl)methoxy]-6-(trifluoromethyl)pyridine
CID 172436070
2-[3-(Difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine
CID 166636269
2-(4-Octyloxyphenyl)-6-fluoropyridine
CID 17911500
2-Fluoro-3-(4-hexylphenyl)-6-(4-octoxyphenyl)pyridine
CID 18401271
2-Fluoro-6-(4-hexoxyphenyl)-3-octylpyridine
CID 20679713
2-Ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15587567
2-Methoxy-6-(4-(trifluoromethyl)phenyl)pyridine
CID 54758829
2-Phenoxy-6-(3-(trifluoromethyl)phenyl)pyridin
CID 71574031

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine?
The IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine (CID 166636784) is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine.
What is the SMILES notation for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine?
The canonical SMILES for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cccc(C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine?
The InChIKey is PAASYEILLJAIJJ-QLFBSQMISA-N. The full InChI is InChI=1S/C19H26F3NO/c1-12(2)14-8-7-13(3)11-15(14)24-17-6-4-5-16(23-17)18(9-10-18)19(20,21)22/h4-6,12-15H,7-11H2,1-3H3/t13-,14+,15-/m1/s1.
What are the key properties of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine?
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine has a molecular weight of 341.42 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[1-(trifluoromethyl)cyclopropyl]pyridine is sourced from PubChem (CID 166636784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).