[5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite

C11H15FN2O3 — CID 144632579

IUPAC[5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite
SMILESCc1ncc(C2CCC(O)(O)CC2)c(OF)n1
InChIInChI=1S/C11H15FN2O3/c1-7-13-6-9(10(14-7)17-12)8-2-4-11(15,16)5-3-8/h6,8,15-16H,2-5H2,1H3
InChIKeyUCOYLVGHEHHTQI-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.39
Rot. Bonds2

About [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite

[5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite (PubChem CID 144632579) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite.

Molecular Properties

Compound Name[5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite
PubChem CID144632579
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name[5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite
SMILESCc1ncc(C2CCC(O)(O)CC2)c(OF)n1
InChIInChI=1S/C11H15FN2O3/c1-7-13-6-9(10(14-7)17-12)8-2-4-11(15,16)5-3-8/h6,8,15-16H,2-5H2,1H3
InChIKeyUCOYLVGHEHHTQI-UHFFFAOYSA-N
XLogP1.39
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite?
The IUPAC name of [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite (CID 144632579) is [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite.
What is the SMILES notation for [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite?
The canonical SMILES for [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite is Cc1ncc(C2CCC(O)(O)CC2)c(OF)n1.
What is the InChIKey of [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite?
The InChIKey is UCOYLVGHEHHTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-7-13-6-9(10(14-7)17-12)8-2-4-11(15,16)5-3-8/h6,8,15-16H,2-5H2,1H3.
What are the key properties of [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite?
[5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite has a molecular weight of 242.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4-dihydroxycyclohexyl)-2-methylpyrimidin-4-yl] hypofluorite is sourced from PubChem (CID 144632579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).