2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine

C10H9F3N2 — CID 139748751

IUPAC2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine
SMILESCC=CCc1ncc(C(F)=C(F)F)cn1
InChIInChI=1S/C10H9F3N2/c1-2-3-4-8-14-5-7(6-15-8)9(11)10(12)13/h2-3,5-6H,4H2,1H3
InChIKeyGLAKLAXGKRODDV-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.13
Rot. Bonds3

About 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine

2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine (PubChem CID 139748751) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine.

Molecular Properties

Compound Name2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine
PubChem CID139748751
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine
SMILESCC=CCc1ncc(C(F)=C(F)F)cn1
InChIInChI=1S/C10H9F3N2/c1-2-3-4-8-14-5-7(6-15-8)9(11)10(12)13/h2-3,5-6H,4H2,1H3
InChIKeyGLAKLAXGKRODDV-UHFFFAOYSA-N
XLogP3.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine?
The IUPAC name of 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine (CID 139748751) is 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine.
What is the SMILES notation for 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine?
The canonical SMILES for 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine is CC=CCc1ncc(C(F)=C(F)F)cn1.
What is the InChIKey of 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine?
The InChIKey is GLAKLAXGKRODDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-2-3-4-8-14-5-7(6-15-8)9(11)10(12)13/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine?
2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine has a molecular weight of 214.19 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-5-(1,2,2-trifluoroethenyl)pyrimidine is sourced from PubChem (CID 139748751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).