4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine

C8H3ClF8N2 — CID 15312428

IUPAC4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine
SMILESCc1nc(Cl)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H3ClF8N2/c1-2-18-4(6(10,11)8(15,16)17)3(5(9)19-2)7(12,13)14/h1H3
InChIKeyIXVKNTRFWDQRRW-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.11
Rot. Bonds1

About 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine

4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 15312428) has the molecular formula C8H3ClF8N2 and a molecular weight of 314.56 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine
PubChem CID15312428
Molecular FormulaC8H3ClF8N2
Molecular Weight314.56 g/mol
Exact Mass313.99
IUPAC Name4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine
SMILESCc1nc(Cl)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H3ClF8N2/c1-2-18-4(6(10,11)8(15,16)17)3(5(9)19-2)7(12,13)14/h1H3
InChIKeyIXVKNTRFWDQRRW-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.11
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)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine (CID 15312428) is 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine is Cc1nc(Cl)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is IXVKNTRFWDQRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF8N2/c1-2-18-4(6(10,11)8(15,16)17)3(5(9)19-2)7(12,13)14/h1H3.
What are the key properties of 4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine?
4-chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 314.56 g/mol, XLogP of 4.11, 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)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15312428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).