[2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol

C11H14F4N2O2 — CID 55032702

IUPAC[2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OCC(F)(F)C(F)F)c(CO)n1
InChIInChI=1S/C11H14F4N2O2/c1-6(2)9-16-3-8(7(4-18)17-9)19-5-11(14,15)10(12)13/h3,6,10,18H,4-5H2,1-2H3
InChIKeyNUKYHWMYZLQAFZ-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.37
Rot. Bonds6

About [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol

[2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol (PubChem CID 55032702) has the molecular formula C11H14F4N2O2 and a molecular weight of 282.24 g/mol. Its IUPAC name is [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol
PubChem CID55032702
Molecular FormulaC11H14F4N2O2
Molecular Weight282.24 g/mol
Exact Mass282.10
IUPAC Name[2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OCC(F)(F)C(F)F)c(CO)n1
InChIInChI=1S/C11H14F4N2O2/c1-6(2)9-16-3-8(7(4-18)17-9)19-5-11(14,15)10(12)13/h3,6,10,18H,4-5H2,1-2H3
InChIKeyNUKYHWMYZLQAFZ-UHFFFAOYSA-N
XLogP2.37
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol?
The IUPAC name of [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol (CID 55032702) is [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol is CC(C)c1ncc(OCC(F)(F)C(F)F)c(CO)n1.
What is the InChIKey of [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol?
The InChIKey is NUKYHWMYZLQAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O2/c1-6(2)9-16-3-8(7(4-18)17-9)19-5-11(14,15)10(12)13/h3,6,10,18H,4-5H2,1-2H3.
What are the key properties of [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol?
[2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol has a molecular weight of 282.24 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol is sourced from PubChem (CID 55032702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).