2-propan-2-yloxy-6-(trifluoromethyl)pyridine

C9H10F3NO — CID 53217421

IUPAC2-propan-2-yloxy-6-(trifluoromethyl)pyridine
SMILESCC(C)Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3NO/c1-6(2)14-8-5-3-4-7(13-8)9(10,11)12/h3-6H,1-2H3
InChIKeyHOZWPCFCUHYPBH-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.89
Rot. Bonds2

About 2-propan-2-yloxy-6-(trifluoromethyl)pyridine

2-propan-2-yloxy-6-(trifluoromethyl)pyridine (PubChem CID 53217421) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-propan-2-yloxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-propan-2-yloxy-6-(trifluoromethyl)pyridine
PubChem CID53217421
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-propan-2-yloxy-6-(trifluoromethyl)pyridine
SMILESCC(C)Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3NO/c1-6(2)14-8-5-3-4-7(13-8)9(10,11)12/h3-6H,1-2H3
InChIKeyHOZWPCFCUHYPBH-UHFFFAOYSA-N
XLogP2.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 261829
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CID 6430781
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CID 4738465
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CID 9877376
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CID 14296367
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CID 12325389
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CID 13882973
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-propan-2-yloxy-6-(trifluoromethyl)pyridine (CID 53217421) is 2-propan-2-yloxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-propan-2-yloxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-propan-2-yloxy-6-(trifluoromethyl)pyridine is CC(C)Oc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-propan-2-yloxy-6-(trifluoromethyl)pyridine?
The InChIKey is HOZWPCFCUHYPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(2)14-8-5-3-4-7(13-8)9(10,11)12/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yloxy-6-(trifluoromethyl)pyridine?
2-propan-2-yloxy-6-(trifluoromethyl)pyridine has a molecular weight of 205.18 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 53217421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).