5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine

C9H8F3NO — CID 138977620

IUPAC5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(C2COC2)cn1
InChIInChI=1S/C9H8F3NO/c10-9(11,12)8-2-1-6(3-13-8)7-4-14-5-7/h1-3,7H,4-5H2
InChIKeyVNBKOFUXRYIADL-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.21
Rot. Bonds1

About 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine

5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine (PubChem CID 138977620) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine
PubChem CID138977620
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(C2COC2)cn1
InChIInChI=1S/C9H8F3NO/c10-9(11,12)8-2-1-6(3-13-8)7-4-14-5-7/h1-3,7H,4-5H2
InChIKeyVNBKOFUXRYIADL-UHFFFAOYSA-N
XLogP2.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66991
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2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
2-(2-Ethoxyethyl)pyridine
CID 98758
2-(3-Methylpyridin-2-yl)ethan-1-ol
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2-(Benzyloxyiminomethyl)pyridine
CID 98778
2-(2-Pyridyl)propane-1,3-diol
CID 365651
2-pyridinecarbaldehyde O-(2-phenylethyl)oxime
CID 248882
3-(3-Methylpyridin-2-yl)propan-1-ol
CID 17844561
2-(2-Propoxyethyl)pyridine
CID 112444
2-(5-Methylpyridin-2-yl)ethan-1-ol
CID 14546495

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine (CID 138977620) is 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(C2COC2)cn1.
What is the InChIKey of 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is VNBKOFUXRYIADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-9(11,12)8-2-1-6(3-13-8)7-4-14-5-7/h1-3,7H,4-5H2.
What are the key properties of 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine?
5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 203.16 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 138977620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).