4,5-bis(trifluoromethyl)pyrimidine

C6H2F6N2 — CID 91164711

IUPAC4,5-bis(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cncnc1C(F)(F)F
InChIInChI=1S/C6H2F6N2/c7-5(8,9)3-1-13-2-14-4(3)6(10,11)12/h1-2H
InChIKeyVOWYJDOONKHQDS-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.51
Rot. Bonds

About 4,5-bis(trifluoromethyl)pyrimidine

4,5-bis(trifluoromethyl)pyrimidine (PubChem CID 91164711) has the molecular formula C6H2F6N2 and a molecular weight of 216.08 g/mol. Its IUPAC name is 4,5-bis(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,5-bis(trifluoromethyl)pyrimidine
PubChem CID91164711
Molecular FormulaC6H2F6N2
Molecular Weight216.08 g/mol
Exact Mass216.01
IUPAC Name4,5-bis(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cncnc1C(F)(F)F
InChIInChI=1S/C6H2F6N2/c7-5(8,9)3-1-13-2-14-4(3)6(10,11)12/h1-2H
InChIKeyVOWYJDOONKHQDS-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(trifluoromethyl)pyrimidine?
The IUPAC name of 4,5-bis(trifluoromethyl)pyrimidine (CID 91164711) is 4,5-bis(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,5-bis(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,5-bis(trifluoromethyl)pyrimidine is FC(F)(F)c1cncnc1C(F)(F)F.
What is the InChIKey of 4,5-bis(trifluoromethyl)pyrimidine?
The InChIKey is VOWYJDOONKHQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F6N2/c7-5(8,9)3-1-13-2-14-4(3)6(10,11)12/h1-2H.
What are the key properties of 4,5-bis(trifluoromethyl)pyrimidine?
4,5-bis(trifluoromethyl)pyrimidine has a molecular weight of 216.08 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91164711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).