difluoromethane;5-fluoro-2-methylpyrimidine

C6H7F3N2 — CID 158744420

IUPACdifluoromethane;5-fluoro-2-methylpyrimidine
SMILESCc1ncc(F)cn1.FCF
InChIInChI=1S/C5H5FN2.CH2F2/c1-4-7-2-5(6)3-8-4;2-1-3/h2-3H,1H3;1H2
InChIKeyIMRYHPCWPJMEQJ-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.81
Rot. Bonds

About difluoromethane;5-fluoro-2-methylpyrimidine

difluoromethane;5-fluoro-2-methylpyrimidine (PubChem CID 158744420) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is difluoromethane;5-fluoro-2-methylpyrimidine.

Molecular Properties

Compound Namedifluoromethane;5-fluoro-2-methylpyrimidine
PubChem CID158744420
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Namedifluoromethane;5-fluoro-2-methylpyrimidine
SMILESCc1ncc(F)cn1.FCF
InChIInChI=1S/C5H5FN2.CH2F2/c1-4-7-2-5(6)3-8-4;2-1-3/h2-3H,1H3;1H2
InChIKeyIMRYHPCWPJMEQJ-UHFFFAOYSA-N
XLogP1.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze difluoromethane;5-fluoro-2-methylpyrimidine 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 difluoromethane;5-fluoro-2-methylpyrimidine?
The IUPAC name of difluoromethane;5-fluoro-2-methylpyrimidine (CID 158744420) is difluoromethane;5-fluoro-2-methylpyrimidine.
What is the SMILES notation for difluoromethane;5-fluoro-2-methylpyrimidine?
The canonical SMILES for difluoromethane;5-fluoro-2-methylpyrimidine is Cc1ncc(F)cn1.FCF.
What is the InChIKey of difluoromethane;5-fluoro-2-methylpyrimidine?
The InChIKey is IMRYHPCWPJMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2.CH2F2/c1-4-7-2-5(6)3-8-4;2-1-3/h2-3H,1H3;1H2.
What are the key properties of difluoromethane;5-fluoro-2-methylpyrimidine?
difluoromethane;5-fluoro-2-methylpyrimidine has a molecular weight of 164.13 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;5-fluoro-2-methylpyrimidine is sourced from PubChem (CID 158744420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).