[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol

C11H12F6N2O2 — CID 102722593

IUPAC[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OC(C(F)(F)F)C(F)(F)F)c(CO)n1
InChIInChI=1S/C11H12F6N2O2/c1-5(2)8-18-3-7(6(4-20)19-8)21-9(10(12,13)14)11(15,16)17/h3,5,9,20H,4H2,1-2H3
InChIKeyFXRBKUXKVKIBMX-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.96
Rot. Bonds4

About [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol

[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 102722593) has the molecular formula C11H12F6N2O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID102722593
Molecular FormulaC11H12F6N2O2
Molecular Weight318.22 g/mol
Exact Mass318.08
IUPAC Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OC(C(F)(F)F)C(F)(F)F)c(CO)n1
InChIInChI=1S/C11H12F6N2O2/c1-5(2)8-18-3-7(6(4-20)19-8)21-9(10(12,13)14)11(15,16)17/h3,5,9,20H,4H2,1-2H3
InChIKeyFXRBKUXKVKIBMX-UHFFFAOYSA-N
XLogP2.96
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 102722593) is [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol is CC(C)c1ncc(OC(C(F)(F)F)C(F)(F)F)c(CO)n1.
What is the InChIKey of [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is FXRBKUXKVKIBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N2O2/c1-5(2)8-18-3-7(6(4-20)19-8)21-9(10(12,13)14)11(15,16)17/h3,5,9,20H,4H2,1-2H3.
What are the key properties of [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 318.22 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 102722593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).