2,4-bis(difluoromethyl)pyrimidine

C6H4F4N2 — CID 68586221

IUPAC2,4-bis(difluoromethyl)pyrimidine
SMILESFC(F)c1ccnc(C(F)F)n1
InChIInChI=1S/C6H4F4N2/c7-4(8)3-1-2-11-6(12-3)5(9)10/h1-2,4-5H
InChIKeyCEVGCMFIBQVSPQ-UHFFFAOYSA-N
MW180.10 g/mol
LogP2.35
Rot. Bonds2

About 2,4-bis(difluoromethyl)pyrimidine

2,4-bis(difluoromethyl)pyrimidine (PubChem CID 68586221) has the molecular formula C6H4F4N2 and a molecular weight of 180.10 g/mol. Its IUPAC name is 2,4-bis(difluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(difluoromethyl)pyrimidine
PubChem CID68586221
Molecular FormulaC6H4F4N2
Molecular Weight180.10 g/mol
Exact Mass180.03
IUPAC Name2,4-bis(difluoromethyl)pyrimidine
SMILESFC(F)c1ccnc(C(F)F)n1
InChIInChI=1S/C6H4F4N2/c7-4(8)3-1-2-11-6(12-3)5(9)10/h1-2,4-5H
InChIKeyCEVGCMFIBQVSPQ-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-bis(difluoromethyl)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 2,4-bis(difluoromethyl)pyrimidine?
The IUPAC name of 2,4-bis(difluoromethyl)pyrimidine (CID 68586221) is 2,4-bis(difluoromethyl)pyrimidine.
What is the SMILES notation for 2,4-bis(difluoromethyl)pyrimidine?
The canonical SMILES for 2,4-bis(difluoromethyl)pyrimidine is FC(F)c1ccnc(C(F)F)n1.
What is the InChIKey of 2,4-bis(difluoromethyl)pyrimidine?
The InChIKey is CEVGCMFIBQVSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2/c7-4(8)3-1-2-11-6(12-3)5(9)10/h1-2,4-5H.
What are the key properties of 2,4-bis(difluoromethyl)pyrimidine?
2,4-bis(difluoromethyl)pyrimidine has a molecular weight of 180.10 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(difluoromethyl)pyrimidine is sourced from PubChem (CID 68586221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).