2-[1-(fluoromethoxy)ethoxy]pyrimidine

C7H9FN2O2 — CID 67031691

IUPAC2-[1-(fluoromethoxy)ethoxy]pyrimidine
SMILESCC(OCF)Oc1ncccn1
InChIInChI=1S/C7H9FN2O2/c1-6(11-5-8)12-7-9-3-2-4-10-7/h2-4,6H,5H2,1H3
InChIKeyGXGZYSGVMXVLIH-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.14
Rot. Bonds4

About 2-[1-(fluoromethoxy)ethoxy]pyrimidine

2-[1-(fluoromethoxy)ethoxy]pyrimidine (PubChem CID 67031691) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 2-[1-(fluoromethoxy)ethoxy]pyrimidine.

Molecular Properties

Compound Name2-[1-(fluoromethoxy)ethoxy]pyrimidine
PubChem CID67031691
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name2-[1-(fluoromethoxy)ethoxy]pyrimidine
SMILESCC(OCF)Oc1ncccn1
InChIInChI=1S/C7H9FN2O2/c1-6(11-5-8)12-7-9-3-2-4-10-7/h2-4,6H,5H2,1H3
InChIKeyGXGZYSGVMXVLIH-UHFFFAOYSA-N
XLogP1.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(fluoromethoxy)ethoxy]pyrimidine?
The IUPAC name of 2-[1-(fluoromethoxy)ethoxy]pyrimidine (CID 67031691) is 2-[1-(fluoromethoxy)ethoxy]pyrimidine.
What is the SMILES notation for 2-[1-(fluoromethoxy)ethoxy]pyrimidine?
The canonical SMILES for 2-[1-(fluoromethoxy)ethoxy]pyrimidine is CC(OCF)Oc1ncccn1.
What is the InChIKey of 2-[1-(fluoromethoxy)ethoxy]pyrimidine?
The InChIKey is GXGZYSGVMXVLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-6(11-5-8)12-7-9-3-2-4-10-7/h2-4,6H,5H2,1H3.
What are the key properties of 2-[1-(fluoromethoxy)ethoxy]pyrimidine?
2-[1-(fluoromethoxy)ethoxy]pyrimidine has a molecular weight of 172.16 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(fluoromethoxy)ethoxy]pyrimidine is sourced from PubChem (CID 67031691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).