fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate

C10H11F2N3O2 — CID 175026112

IUPACfluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
SMILESO=C(OF)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H11F2N3O2/c11-8-5-13-10(14-6-8)15-3-1-7(2-4-15)9(16)17-12/h5-7H,1-4H2
InChIKeyXILJMBQJBRKWFJ-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.26
Rot. Bonds2

About fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate

fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 175026112) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namefluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID175026112
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Namefluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
SMILESO=C(OF)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H11F2N3O2/c11-8-5-13-10(14-6-8)15-3-1-7(2-4-15)9(16)17-12/h5-7H,1-4H2
InChIKeyXILJMBQJBRKWFJ-UHFFFAOYSA-N
XLogP1.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate (CID 175026112) is fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate is O=C(OF)C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is XILJMBQJBRKWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c11-8-5-13-10(14-6-8)15-3-1-7(2-4-15)9(16)17-12/h5-7H,1-4H2.
What are the key properties of fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 243.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 175026112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).