4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine

C10H10ClF5N2O — CID 80948768

IUPAC4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H10ClF5N2O/c1-5(2)8-17-6(11)3-7(18-8)19-4-9(12,13)10(14,15)16/h3,5H,4H2,1-2H3
InChIKeyQABTZUJQVIIHEA-UHFFFAOYSA-N
MW304.65 g/mol
LogP3.83
Rot. Bonds4

About 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine

4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine (PubChem CID 80948768) has the molecular formula C10H10ClF5N2O and a molecular weight of 304.65 g/mol. Its IUPAC name is 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine
PubChem CID80948768
Molecular FormulaC10H10ClF5N2O
Molecular Weight304.65 g/mol
Exact Mass304.04
IUPAC Name4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H10ClF5N2O/c1-5(2)8-17-6(11)3-7(18-8)19-4-9(12,13)10(14,15)16/h3,5H,4H2,1-2H3
InChIKeyQABTZUJQVIIHEA-UHFFFAOYSA-N
XLogP3.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.65
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine (CID 80948768) is 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine?
The InChIKey is QABTZUJQVIIHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF5N2O/c1-5(2)8-17-6(11)3-7(18-8)19-4-9(12,13)10(14,15)16/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine?
4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine has a molecular weight of 304.65 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80948768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).