2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine

C11H14ClF3N2O — CID 114561993

IUPAC2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine
SMILESCCCCCCOc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-2-3-4-5-6-18-9-7-8(11(13,14)15)16-10(12)17-9/h7H,2-6H2,1H3
InChIKeyUWAUYWFUCBYSEY-UHFFFAOYSA-N
MW282.69 g/mol
LogP4.11
Rot. Bonds6

About 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine

2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 114561993) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine
PubChem CID114561993
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine
SMILESCCCCCCOc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-2-3-4-5-6-18-9-7-8(11(13,14)15)16-10(12)17-9/h7H,2-6H2,1H3
InChIKeyUWAUYWFUCBYSEY-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine (CID 114561993) is 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine is CCCCCCOc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is UWAUYWFUCBYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-2-3-4-5-6-18-9-7-8(11(13,14)15)16-10(12)17-9/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine?
2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 282.69 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114561993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).