5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine

C13H14F4N2 — CID 163385678

IUPAC5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine
SMILESC=C(c1ccc(C(F)(F)F)nc1)C1(F)CCNCC1
InChIInChI=1S/C13H14F4N2/c1-9(12(14)4-6-18-7-5-12)10-2-3-11(19-8-10)13(15,16)17/h2-3,8,18H,1,4-7H2
InChIKeySDCBISBGKLDGNZ-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.21
Rot. Bonds2

About 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine

5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine (PubChem CID 163385678) has the molecular formula C13H14F4N2 and a molecular weight of 274.26 g/mol. Its IUPAC name is 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine
PubChem CID163385678
Molecular FormulaC13H14F4N2
Molecular Weight274.26 g/mol
Exact Mass274.11
IUPAC Name5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine
SMILESC=C(c1ccc(C(F)(F)F)nc1)C1(F)CCNCC1
InChIInChI=1S/C13H14F4N2/c1-9(12(14)4-6-18-7-5-12)10-2-3-11(19-8-10)13(15,16)17/h2-3,8,18H,1,4-7H2
InChIKeySDCBISBGKLDGNZ-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine (CID 163385678) is 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine is C=C(c1ccc(C(F)(F)F)nc1)C1(F)CCNCC1.
What is the InChIKey of 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is SDCBISBGKLDGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2/c1-9(12(14)4-6-18-7-5-12)10-2-3-11(19-8-10)13(15,16)17/h2-3,8,18H,1,4-7H2.
What are the key properties of 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine?
5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 274.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluoropiperidin-4-yl)ethenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 163385678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).