4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

C9H9ClF4N2O — CID 80663794

IUPAC4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCc1cc(Cl)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H9ClF4N2O/c1-5-2-6(10)16-7(15-5)3-17-4-9(13,14)8(11)12/h2,8H,3-4H2,1H3
InChIKeyVULCJDVSPVFQBJ-UHFFFAOYSA-N
MW272.63 g/mol
LogP2.86
Rot. Bonds5

About 4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (PubChem CID 80663794) has the molecular formula C9H9ClF4N2O and a molecular weight of 272.63 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
PubChem CID80663794
Molecular FormulaC9H9ClF4N2O
Molecular Weight272.63 g/mol
Exact Mass272.03
IUPAC Name4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCc1cc(Cl)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H9ClF4N2O/c1-5-2-6(10)16-7(15-5)3-17-4-9(13,14)8(11)12/h2,8H,3-4H2,1H3
InChIKeyVULCJDVSPVFQBJ-UHFFFAOYSA-N
XLogP2.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.63
LogP ≤ 52.86
H-Bond Donors ≤ 50
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-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (CID 80663794) is 4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is Cc1cc(Cl)nc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The InChIKey is VULCJDVSPVFQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF4N2O/c1-5-2-6(10)16-7(15-5)3-17-4-9(13,14)8(11)12/h2,8H,3-4H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine has a molecular weight of 272.63 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 80663794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).