2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine

C8H2F10N2 — CID 91802215

IUPAC2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESFC(F)(F)C(F)(F)c1ccnc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H2F10N2/c9-5(10,7(13,14)15)3-1-2-19-4(20-3)6(11,12)8(16,17)18/h1-2H
InChIKeyBQXLUBLIWCSHDR-UHFFFAOYSA-N
MW316.10 g/mol
LogP3.78
Rot. Bonds2

About 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine

2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine (PubChem CID 91802215) has the molecular formula C8H2F10N2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine
PubChem CID91802215
Molecular FormulaC8H2F10N2
Molecular Weight316.10 g/mol
Exact Mass316.01
IUPAC Name2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESFC(F)(F)C(F)(F)c1ccnc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H2F10N2/c9-5(10,7(13,14)15)3-1-2-19-4(20-3)6(11,12)8(16,17)18/h1-2H
InChIKeyBQXLUBLIWCSHDR-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The IUPAC name of 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine (CID 91802215) is 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine.
What is the SMILES notation for 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The canonical SMILES for 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine is FC(F)(F)C(F)(F)c1ccnc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The InChIKey is BQXLUBLIWCSHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F10N2/c9-5(10,7(13,14)15)3-1-2-19-4(20-3)6(11,12)8(16,17)18/h1-2H.
What are the key properties of 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine?
2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine has a molecular weight of 316.10 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine is sourced from PubChem (CID 91802215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).