4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine

C7H4ClF5N2 — CID 19009723

IUPAC4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESCc1nc(Cl)cc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H4ClF5N2/c1-3-14-4(2-5(8)15-3)6(9,10)7(11,12)13/h2H,1H3
InChIKeyBIXCIKSBVFIQMX-UHFFFAOYSA-N
MW246.57 g/mol
LogP3.09
Rot. Bonds1

About 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine

4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine (PubChem CID 19009723) has the molecular formula C7H4ClF5N2 and a molecular weight of 246.57 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine
PubChem CID19009723
Molecular FormulaC7H4ClF5N2
Molecular Weight246.57 g/mol
Exact Mass246.00
IUPAC Name4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESCc1nc(Cl)cc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H4ClF5N2/c1-3-14-4(2-5(8)15-3)6(9,10)7(11,12)13/h2H,1H3
InChIKeyBIXCIKSBVFIQMX-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.57
LogP ≤ 53.09
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 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine (CID 19009723) is 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine is Cc1nc(Cl)cc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The InChIKey is BIXCIKSBVFIQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF5N2/c1-3-14-4(2-5(8)15-3)6(9,10)7(11,12)13/h2H,1H3.
What are the key properties of 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine has a molecular weight of 246.57 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine is sourced from PubChem (CID 19009723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).