5-(1,1,2,2,2-pentafluoroethyl)pyrimidine

C6H3F5N2 — CID 54178440

IUPAC5-(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESFC(F)(F)C(F)(F)c1cncnc1
InChIInChI=1S/C6H3F5N2/c7-5(8,6(9,10)11)4-1-12-3-13-2-4/h1-3H
InChIKeyPABZQUCHUXHMMK-UHFFFAOYSA-N
MW198.09 g/mol
LogP2.13
Rot. Bonds1

About 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine

5-(1,1,2,2,2-pentafluoroethyl)pyrimidine (PubChem CID 54178440) has the molecular formula C6H3F5N2 and a molecular weight of 198.09 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)pyrimidine
PubChem CID54178440
Molecular FormulaC6H3F5N2
Molecular Weight198.09 g/mol
Exact Mass198.02
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESFC(F)(F)C(F)(F)c1cncnc1
InChIInChI=1S/C6H3F5N2/c7-5(8,6(9,10)11)4-1-12-3-13-2-4/h1-3H
InChIKeyPABZQUCHUXHMMK-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 52.13
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 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine (CID 54178440) is 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine is FC(F)(F)C(F)(F)c1cncnc1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The InChIKey is PABZQUCHUXHMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2/c7-5(8,6(9,10)11)4-1-12-3-13-2-4/h1-3H.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
5-(1,1,2,2,2-pentafluoroethyl)pyrimidine has a molecular weight of 198.09 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)pyrimidine is sourced from PubChem (CID 54178440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).