4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine

C5F6N2 — CID 13389000

IUPAC4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine
SMILESFc1nc(C(F)(F)F)nc(F)c1F
InChIInChI=1S/C5F6N2/c6-1-2(7)12-4(5(9,10)11)13-3(1)8
InChIKeyBRGQXGPRBQQRNM-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.91
Rot. Bonds

About 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine

4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine (PubChem CID 13389000) has the molecular formula C5F6N2 and a molecular weight of 202.06 g/mol. Its IUPAC name is 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine
PubChem CID13389000
Molecular FormulaC5F6N2
Molecular Weight202.06 g/mol
Exact Mass202.00
IUPAC Name4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine
SMILESFc1nc(C(F)(F)F)nc(F)c1F
InChIInChI=1S/C5F6N2/c6-1-2(7)12-4(5(9,10)11)13-3(1)8
InChIKeyBRGQXGPRBQQRNM-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine (CID 13389000) is 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine is Fc1nc(C(F)(F)F)nc(F)c1F.
What is the InChIKey of 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine?
The InChIKey is BRGQXGPRBQQRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F6N2/c6-1-2(7)12-4(5(9,10)11)13-3(1)8.
What are the key properties of 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine?
4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine has a molecular weight of 202.06 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoro-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13389000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).