4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine

C7H2F9N3 — CID 5231254

IUPAC4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(F)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H2F9N3/c8-3-1(6(11,12)13)2(18-4(17)19-3)5(9,10)7(14,15)16/h(H2,17,18,19)
InChIKeyBHSPKKMJRHLZTO-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.87
Rot. Bonds1

About 4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine

4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 5231254) has the molecular formula C7H2F9N3 and a molecular weight of 299.10 g/mol. Its IUPAC name is 4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID5231254
Molecular FormulaC7H2F9N3
Molecular Weight299.10 g/mol
Exact Mass299.01
IUPAC Name4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(F)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H2F9N3/c8-3-1(6(11,12)13)2(18-4(17)19-3)5(9,10)7(14,15)16/h(H2,17,18,19)
InChIKeyBHSPKKMJRHLZTO-UHFFFAOYSA-N
XLogP2.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
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-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 5231254) is 4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(F)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BHSPKKMJRHLZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F9N3/c8-3-1(6(11,12)13)2(18-4(17)19-3)5(9,10)7(14,15)16/h(H2,17,18,19).
What are the key properties of 4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 299.10 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 5231254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).