3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine

C11H12F4N2 — CID 59514574

IUPAC3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)cnc1N1CCCCC1
InChIInChI=1S/C11H12F4N2/c12-9-6-8(11(13,14)15)7-16-10(9)17-4-2-1-3-5-17/h6-7H,1-5H2
InChIKeyHGJXZVYOBOZPOI-UHFFFAOYSA-N
MW248.22 g/mol
LogP3.23
Rot. Bonds1

About 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine

3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine (PubChem CID 59514574) has the molecular formula C11H12F4N2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
PubChem CID59514574
Molecular FormulaC11H12F4N2
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)cnc1N1CCCCC1
InChIInChI=1S/C11H12F4N2/c12-9-6-8(11(13,14)15)7-16-10(9)17-4-2-1-3-5-17/h6-7H,1-5H2
InChIKeyHGJXZVYOBOZPOI-UHFFFAOYSA-N
XLogP3.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine (CID 59514574) is 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine is Fc1cc(C(F)(F)F)cnc1N1CCCCC1.
What is the InChIKey of 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine?
The InChIKey is HGJXZVYOBOZPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2/c12-9-6-8(11(13,14)15)7-16-10(9)17-4-2-1-3-5-17/h6-7H,1-5H2.
What are the key properties of 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine?
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine has a molecular weight of 248.22 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 59514574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).