2-[difluoro(methoxy)methoxy]pyrimidine

C6H6F2N2O2 — CID 57008288

IUPAC2-[difluoro(methoxy)methoxy]pyrimidine
SMILESCOC(F)(F)Oc1ncccn1
InChIInChI=1S/C6H6F2N2O2/c1-11-6(7,8)12-5-9-3-2-4-10-5/h2-4H,1H3
InChIKeyYIWHPBPDWFOEFU-UHFFFAOYSA-N
MW176.12 g/mol
LogP1.05
Rot. Bonds3

About 2-[difluoro(methoxy)methoxy]pyrimidine

2-[difluoro(methoxy)methoxy]pyrimidine (PubChem CID 57008288) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2-[difluoro(methoxy)methoxy]pyrimidine.

Molecular Properties

Compound Name2-[difluoro(methoxy)methoxy]pyrimidine
PubChem CID57008288
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name2-[difluoro(methoxy)methoxy]pyrimidine
SMILESCOC(F)(F)Oc1ncccn1
InChIInChI=1S/C6H6F2N2O2/c1-11-6(7,8)12-5-9-3-2-4-10-5/h2-4H,1H3
InChIKeyYIWHPBPDWFOEFU-UHFFFAOYSA-N
XLogP1.05
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine
CID 9260
2-Fluoropyrimidine
CID 141643
2-Methoxypyrimidine
CID 136730
2,4-Difluoropyrimidine
CID 137716
2-O-Methylcytosine
CID 160679
2-Dimethylaminopyrimidine
CID 521717
2-(Trifluoromethyl)pyrimidine
CID 14007756
2-(Heptafluoropropyl)pyrimidine
CID 14007760
2-Ethoxypyrimidine
CID 13678540
2-(2,2,2-Trifluoroethoxy)pyrimidine
CID 20162082
2-(1,1,2,2,2-Pentafluoroethyl)pyrimidine
CID 14007757
4-Fluoropyrimidine
CID 19595920

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(methoxy)methoxy]pyrimidine?
The IUPAC name of 2-[difluoro(methoxy)methoxy]pyrimidine (CID 57008288) is 2-[difluoro(methoxy)methoxy]pyrimidine.
What is the SMILES notation for 2-[difluoro(methoxy)methoxy]pyrimidine?
The canonical SMILES for 2-[difluoro(methoxy)methoxy]pyrimidine is COC(F)(F)Oc1ncccn1.
What is the InChIKey of 2-[difluoro(methoxy)methoxy]pyrimidine?
The InChIKey is YIWHPBPDWFOEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c1-11-6(7,8)12-5-9-3-2-4-10-5/h2-4H,1H3.
What are the key properties of 2-[difluoro(methoxy)methoxy]pyrimidine?
2-[difluoro(methoxy)methoxy]pyrimidine has a molecular weight of 176.12 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(methoxy)methoxy]pyrimidine is sourced from PubChem (CID 57008288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).