5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine

C12H14F3NO — CID 138976349

IUPAC5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine
SMILESC[C@H]1CCO[C@@H](c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H14F3NO/c1-8-4-5-17-10(6-8)9-2-3-11(16-7-9)12(13,14)15/h2-3,7-8,10H,4-6H2,1H3/t8-,10+/m0/s1
InChIKeyCEJSKTOKRMOCEZ-WCBMZHEXSA-N
MW245.24 g/mol
LogP3.59
Rot. Bonds1

About 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine

5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine (PubChem CID 138976349) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine
PubChem CID138976349
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine
SMILESC[C@H]1CCO[C@@H](c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H14F3NO/c1-8-4-5-17-10(6-8)9-2-3-11(16-7-9)12(13,14)15/h2-3,7-8,10H,4-6H2,1H3/t8-,10+/m0/s1
InChIKeyCEJSKTOKRMOCEZ-WCBMZHEXSA-N
XLogP3.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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2-[4-(Difluoromethoxy)phenyl]-5-propylpyridine
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R-Doxylamine
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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine (CID 138976349) is 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine is C[C@H]1CCO[C@@H](c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is CEJSKTOKRMOCEZ-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8-4-5-17-10(6-8)9-2-3-11(16-7-9)12(13,14)15/h2-3,7-8,10H,4-6H2,1H3/t8-,10+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine?
5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 245.24 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 138976349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).