2-(1,1-difluoroethyl)-5-ethenylpyrimidine

C8H8F2N2 — CID 86716008

IUPAC2-(1,1-difluoroethyl)-5-ethenylpyrimidine
SMILESC=Cc1cnc(C(C)(F)F)nc1
InChIInChI=1S/C8H8F2N2/c1-3-6-4-11-7(12-5-6)8(2,9)10/h3-5H,1H2,2H3
InChIKeyLQXMJJXFCKAKNW-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.23
Rot. Bonds2

About 2-(1,1-difluoroethyl)-5-ethenylpyrimidine

2-(1,1-difluoroethyl)-5-ethenylpyrimidine (PubChem CID 86716008) has the molecular formula C8H8F2N2 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-ethenylpyrimidine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-ethenylpyrimidine
PubChem CID86716008
Molecular FormulaC8H8F2N2
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC Name2-(1,1-difluoroethyl)-5-ethenylpyrimidine
SMILESC=Cc1cnc(C(C)(F)F)nc1
InChIInChI=1S/C8H8F2N2/c1-3-6-4-11-7(12-5-6)8(2,9)10/h3-5H,1H2,2H3
InChIKeyLQXMJJXFCKAKNW-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-ethenylpyrimidine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-ethenylpyrimidine (CID 86716008) is 2-(1,1-difluoroethyl)-5-ethenylpyrimidine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-ethenylpyrimidine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-ethenylpyrimidine is C=Cc1cnc(C(C)(F)F)nc1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-ethenylpyrimidine?
The InChIKey is LQXMJJXFCKAKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2/c1-3-6-4-11-7(12-5-6)8(2,9)10/h3-5H,1H2,2H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-ethenylpyrimidine?
2-(1,1-difluoroethyl)-5-ethenylpyrimidine has a molecular weight of 170.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-ethenylpyrimidine is sourced from PubChem (CID 86716008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).