(3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone

C11H11F4N3O — CID 141316566

IUPAC(3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(C(F)(F)F)n1)N1CCCC(F)C1
InChIInChI=1S/C11H11F4N3O/c12-7-2-1-5-18(6-7)9(19)8-3-4-16-10(17-8)11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyHDINUYJLHUVMKO-UHFFFAOYSA-N
MW277.22 g/mol
LogP2.07
Rot. Bonds1

About (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone

(3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone (PubChem CID 141316566) has the molecular formula C11H11F4N3O and a molecular weight of 277.22 g/mol. Its IUPAC name is (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone
PubChem CID141316566
Molecular FormulaC11H11F4N3O
Molecular Weight277.22 g/mol
Exact Mass277.08
IUPAC Name(3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(C(F)(F)F)n1)N1CCCC(F)C1
InChIInChI=1S/C11H11F4N3O/c12-7-2-1-5-18(6-7)9(19)8-3-4-16-10(17-8)11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyHDINUYJLHUVMKO-UHFFFAOYSA-N
XLogP2.07
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone?
The IUPAC name of (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone (CID 141316566) is (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone?
The canonical SMILES for (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone is O=C(c1ccnc(C(F)(F)F)n1)N1CCCC(F)C1.
What is the InChIKey of (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone?
The InChIKey is HDINUYJLHUVMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3O/c12-7-2-1-5-18(6-7)9(19)8-3-4-16-10(17-8)11(13,14)15/h3-4,7H,1-2,5-6H2.
What are the key properties of (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone?
(3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone has a molecular weight of 277.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropiperidin-1-yl)-[2-(trifluoromethyl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 141316566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).