1-(trifluoromethyl)-4H-pyrimidine

C5H5F3N2 — CID 175890234

IUPAC1-(trifluoromethyl)-4H-pyrimidine
SMILESFC(F)(F)N1C=CCN=C1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)10-3-1-2-9-4-10/h1,3-4H,2H2
InChIKeyVZOSLOMDBNYBMI-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.36
Rot. Bonds

About 1-(trifluoromethyl)-4H-pyrimidine

1-(trifluoromethyl)-4H-pyrimidine (PubChem CID 175890234) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4H-pyrimidine.

Molecular Properties

Compound Name1-(trifluoromethyl)-4H-pyrimidine
PubChem CID175890234
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name1-(trifluoromethyl)-4H-pyrimidine
SMILESFC(F)(F)N1C=CCN=C1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)10-3-1-2-9-4-10/h1,3-4H,2H2
InChIKeyVZOSLOMDBNYBMI-UHFFFAOYSA-N
XLogP1.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4H-pyrimidine?
The IUPAC name of 1-(trifluoromethyl)-4H-pyrimidine (CID 175890234) is 1-(trifluoromethyl)-4H-pyrimidine.
What is the SMILES notation for 1-(trifluoromethyl)-4H-pyrimidine?
The canonical SMILES for 1-(trifluoromethyl)-4H-pyrimidine is FC(F)(F)N1C=CCN=C1.
What is the InChIKey of 1-(trifluoromethyl)-4H-pyrimidine?
The InChIKey is VZOSLOMDBNYBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-5(7,8)10-3-1-2-9-4-10/h1,3-4H,2H2.
What are the key properties of 1-(trifluoromethyl)-4H-pyrimidine?
1-(trifluoromethyl)-4H-pyrimidine has a molecular weight of 150.10 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4H-pyrimidine is sourced from PubChem (CID 175890234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).