2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine

C9H11FN2O — CID 121394324

IUPAC2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine
SMILESC=C(OCC)c1nccc(CF)n1
InChIInChI=1S/C9H11FN2O/c1-3-13-7(2)9-11-5-4-8(6-10)12-9/h4-5H,2-3,6H2,1H3
InChIKeyCYUASOHTZJUYOC-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.95
Rot. Bonds4

About 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine

2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine (PubChem CID 121394324) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine
PubChem CID121394324
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine
SMILESC=C(OCC)c1nccc(CF)n1
InChIInChI=1S/C9H11FN2O/c1-3-13-7(2)9-11-5-4-8(6-10)12-9/h4-5H,2-3,6H2,1H3
InChIKeyCYUASOHTZJUYOC-UHFFFAOYSA-N
XLogP1.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine?
The IUPAC name of 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine (CID 121394324) is 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine.
What is the SMILES notation for 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine?
The canonical SMILES for 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine is C=C(OCC)c1nccc(CF)n1.
What is the InChIKey of 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine?
The InChIKey is CYUASOHTZJUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-3-13-7(2)9-11-5-4-8(6-10)12-9/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine?
2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine has a molecular weight of 182.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-4-(fluoromethyl)pyrimidine is sourced from PubChem (CID 121394324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).