2-(1,1-difluoroethyl)-4-methoxypyrimidine

C7H8F2N2O — CID 22180775

IUPAC2-(1,1-difluoroethyl)-4-methoxypyrimidine
SMILESCOc1ccnc(C(C)(F)F)n1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)6-10-4-3-5(11-6)12-2/h3-4H,1-2H3
InChIKeyGIIYVRJDAYZGEK-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.60
Rot. Bonds2

About 2-(1,1-difluoroethyl)-4-methoxypyrimidine

2-(1,1-difluoroethyl)-4-methoxypyrimidine (PubChem CID 22180775) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-methoxypyrimidine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-methoxypyrimidine
PubChem CID22180775
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name2-(1,1-difluoroethyl)-4-methoxypyrimidine
SMILESCOc1ccnc(C(C)(F)F)n1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)6-10-4-3-5(11-6)12-2/h3-4H,1-2H3
InChIKeyGIIYVRJDAYZGEK-UHFFFAOYSA-N
XLogP1.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-difluoroethyl)-4-methoxypyrimidine 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-(1,1-difluoroethyl)-4-methoxypyrimidine?
The IUPAC name of 2-(1,1-difluoroethyl)-4-methoxypyrimidine (CID 22180775) is 2-(1,1-difluoroethyl)-4-methoxypyrimidine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-methoxypyrimidine?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-methoxypyrimidine is COc1ccnc(C(C)(F)F)n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-methoxypyrimidine?
The InChIKey is GIIYVRJDAYZGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-7(8,9)6-10-4-3-5(11-6)12-2/h3-4H,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-4-methoxypyrimidine?
2-(1,1-difluoroethyl)-4-methoxypyrimidine has a molecular weight of 174.15 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4-methoxypyrimidine is sourced from PubChem (CID 22180775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).