1-(1,1,2-trifluoropropyl)-2H-pyrimidine

C7H9F3N2 — CID 67593084

IUPAC1-(1,1,2-trifluoropropyl)-2H-pyrimidine
SMILESCC(F)C(F)(F)N1C=CC=NC1
InChIInChI=1S/C7H9F3N2/c1-6(8)7(9,10)12-4-2-3-11-5-12/h2-4,6H,5H2,1H3
InChIKeyUAVWYQRXRXZOET-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.79
Rot. Bonds2

About 1-(1,1,2-trifluoropropyl)-2H-pyrimidine

1-(1,1,2-trifluoropropyl)-2H-pyrimidine (PubChem CID 67593084) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1-(1,1,2-trifluoropropyl)-2H-pyrimidine.

Molecular Properties

Compound Name1-(1,1,2-trifluoropropyl)-2H-pyrimidine
PubChem CID67593084
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name1-(1,1,2-trifluoropropyl)-2H-pyrimidine
SMILESCC(F)C(F)(F)N1C=CC=NC1
InChIInChI=1S/C7H9F3N2/c1-6(8)7(9,10)12-4-2-3-11-5-12/h2-4,6H,5H2,1H3
InChIKeyUAVWYQRXRXZOET-UHFFFAOYSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.79
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-(1,1,2-trifluoropropyl)-2H-pyrimidine?
The IUPAC name of 1-(1,1,2-trifluoropropyl)-2H-pyrimidine (CID 67593084) is 1-(1,1,2-trifluoropropyl)-2H-pyrimidine.
What is the SMILES notation for 1-(1,1,2-trifluoropropyl)-2H-pyrimidine?
The canonical SMILES for 1-(1,1,2-trifluoropropyl)-2H-pyrimidine is CC(F)C(F)(F)N1C=CC=NC1.
What is the InChIKey of 1-(1,1,2-trifluoropropyl)-2H-pyrimidine?
The InChIKey is UAVWYQRXRXZOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-6(8)7(9,10)12-4-2-3-11-5-12/h2-4,6H,5H2,1H3.
What are the key properties of 1-(1,1,2-trifluoropropyl)-2H-pyrimidine?
1-(1,1,2-trifluoropropyl)-2H-pyrimidine has a molecular weight of 178.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-trifluoropropyl)-2H-pyrimidine is sourced from PubChem (CID 67593084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).