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

C9H10F2N2O — CID 121394414

IUPAC4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine
SMILESC=C(OCC)c1nccc(C(F)F)n1
InChIInChI=1S/C9H10F2N2O/c1-3-14-6(2)9-12-5-4-7(13-9)8(10)11/h4-5,8H,2-3H2,1H3
InChIKeyZDQSMAKDADJXLE-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.42
Rot. Bonds4

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

4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine (PubChem CID 121394414) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine
PubChem CID121394414
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine
SMILESC=C(OCC)c1nccc(C(F)F)n1
InChIInChI=1S/C9H10F2N2O/c1-3-14-6(2)9-12-5-4-7(13-9)8(10)11/h4-5,8H,2-3H2,1H3
InChIKeyZDQSMAKDADJXLE-UHFFFAOYSA-N
XLogP2.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.42
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 4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine?
The IUPAC name of 4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine (CID 121394414) is 4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine is C=C(OCC)c1nccc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine?
The InChIKey is ZDQSMAKDADJXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-3-14-6(2)9-12-5-4-7(13-9)8(10)11/h4-5,8H,2-3H2,1H3.
What are the key properties of 4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine?
4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine has a molecular weight of 200.19 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(1-ethoxyethenyl)pyrimidine is sourced from PubChem (CID 121394414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).