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

C6H2F6N2 — CID 163418712

IUPAC4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESFc1nc(CC(F)(F)F)nc(F)c1F
InChIInChI=1S/C6H2F6N2/c7-3-4(8)13-2(14-5(3)9)1-6(10,11)12/h1H2
InChIKeyAGQHAXNFIFAVDN-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.00
Rot. Bonds1

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

4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 163418712) has the molecular formula C6H2F6N2 and a molecular weight of 216.08 g/mol. Its IUPAC name is 4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID163418712
Molecular FormulaC6H2F6N2
Molecular Weight216.08 g/mol
Exact Mass216.01
IUPAC Name4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESFc1nc(CC(F)(F)F)nc(F)c1F
InChIInChI=1S/C6H2F6N2/c7-3-4(8)13-2(14-5(3)9)1-6(10,11)12/h1H2
InChIKeyAGQHAXNFIFAVDN-UHFFFAOYSA-N
XLogP2.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.00
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-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine (CID 163418712) is 4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine is Fc1nc(CC(F)(F)F)nc(F)c1F.
What is the InChIKey of 4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is AGQHAXNFIFAVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F6N2/c7-3-4(8)13-2(14-5(3)9)1-6(10,11)12/h1H2.
What are the key properties of 4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine?
4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 216.08 g/mol, XLogP of 2.00, 1 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-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 163418712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).