2-(difluoromethoxy)-5-ethylpyrimidine

C7H8F2N2O — CID 148907006

IUPAC2-(difluoromethoxy)-5-ethylpyrimidine
SMILESCCc1cnc(OC(F)F)nc1
InChIInChI=1S/C7H8F2N2O/c1-2-5-3-10-7(11-4-5)12-6(8)9/h3-4,6H,2H2,1H3
InChIKeyPHWTZSABWYWUEW-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.64
Rot. Bonds3

About 2-(difluoromethoxy)-5-ethylpyrimidine

2-(difluoromethoxy)-5-ethylpyrimidine (PubChem CID 148907006) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-ethylpyrimidine.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-ethylpyrimidine
PubChem CID148907006
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name2-(difluoromethoxy)-5-ethylpyrimidine
SMILESCCc1cnc(OC(F)F)nc1
InChIInChI=1S/C7H8F2N2O/c1-2-5-3-10-7(11-4-5)12-6(8)9/h3-4,6H,2H2,1H3
InChIKeyPHWTZSABWYWUEW-UHFFFAOYSA-N
XLogP1.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-ethylpyrimidine?
The IUPAC name of 2-(difluoromethoxy)-5-ethylpyrimidine (CID 148907006) is 2-(difluoromethoxy)-5-ethylpyrimidine.
What is the SMILES notation for 2-(difluoromethoxy)-5-ethylpyrimidine?
The canonical SMILES for 2-(difluoromethoxy)-5-ethylpyrimidine is CCc1cnc(OC(F)F)nc1.
What is the InChIKey of 2-(difluoromethoxy)-5-ethylpyrimidine?
The InChIKey is PHWTZSABWYWUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-2-5-3-10-7(11-4-5)12-6(8)9/h3-4,6H,2H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-ethylpyrimidine?
2-(difluoromethoxy)-5-ethylpyrimidine has a molecular weight of 174.15 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-ethylpyrimidine is sourced from PubChem (CID 148907006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).