5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile

C8H7F2N3O2 — CID 125488108

IUPAC5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile
SMILESN#Cc1ncc(OCCOC(F)F)cn1
InChIInChI=1S/C8H7F2N3O2/c9-8(10)15-2-1-14-6-4-12-7(3-11)13-5-6/h4-5,8H,1-2H2
InChIKeyDWOVTWOELIDULU-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.97
Rot. Bonds5

About 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile

5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile (PubChem CID 125488108) has the molecular formula C8H7F2N3O2 and a molecular weight of 215.16 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile
PubChem CID125488108
Molecular FormulaC8H7F2N3O2
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile
SMILESN#Cc1ncc(OCCOC(F)F)cn1
InChIInChI=1S/C8H7F2N3O2/c9-8(10)15-2-1-14-6-4-12-7(3-11)13-5-6/h4-5,8H,1-2H2
InChIKeyDWOVTWOELIDULU-UHFFFAOYSA-N
XLogP0.97
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(cyanomethoxy)pyrimidine-2-carbonitrile
CID 130683228
5-methoxypyrimidine-2-carbonitrile
CID 3715049
4-[2-(difluoromethoxy)ethoxy]benzaldehyde
CID 118384245
5-(4-methylpentoxy)pyridine-2-carbonitrile
CID 115487904
4-(5-heptoxypyrimidin-2-yl)benzonitrile
CID 21388862
5-(4-fluorophenyl)pyrimidine-2-carbonitrile
CID 608076
(2S)-2-[2-(4-cyanophenoxy)ethoxy]propanoic acid
CID 104875948
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine
CID 167713446
pyrimidine-2-carbonitrile;hydrochloride
CID 70084001
2-(2-propan-2-ylpyrimidin-5-yl)oxyacetonitrile
CID 176649876
5-(2,2-difluoroethoxy)pyridine-3-carbonitrile
CID 119054448

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile (CID 125488108) is 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile is N#Cc1ncc(OCCOC(F)F)cn1.
What is the InChIKey of 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile?
The InChIKey is DWOVTWOELIDULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O2/c9-8(10)15-2-1-14-6-4-12-7(3-11)13-5-6/h4-5,8H,1-2H2.
What are the key properties of 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile?
5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile has a molecular weight of 215.16 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)ethoxy]pyrimidine-2-carbonitrile is sourced from PubChem (CID 125488108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).