6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine

C12H8F6N2 — CID 141185370

IUPAC6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine
SMILESFC(F)(F)C1=CC(c2ccc(C(F)(F)F)cc2)=NCN1
InChIInChI=1S/C12H8F6N2/c13-11(14,15)8-3-1-7(2-4-8)9-5-10(12(16,17)18)20-6-19-9/h1-5,20H,6H2
InChIKeyMNZHTBBBTRIPLR-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.50
Rot. Bonds1

About 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine

6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine (PubChem CID 141185370) has the molecular formula C12H8F6N2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine
PubChem CID141185370
Molecular FormulaC12H8F6N2
Molecular Weight294.20 g/mol
Exact Mass294.06
IUPAC Name6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine
SMILESFC(F)(F)C1=CC(c2ccc(C(F)(F)F)cc2)=NCN1
InChIInChI=1S/C12H8F6N2/c13-11(14,15)8-3-1-7(2-4-8)9-5-10(12(16,17)18)20-6-19-9/h1-5,20H,6H2
InChIKeyMNZHTBBBTRIPLR-UHFFFAOYSA-N
XLogP3.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine?
The IUPAC name of 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine (CID 141185370) is 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine.
What is the SMILES notation for 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine?
The canonical SMILES for 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine is FC(F)(F)C1=CC(c2ccc(C(F)(F)F)cc2)=NCN1.
What is the InChIKey of 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine?
The InChIKey is MNZHTBBBTRIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2/c13-11(14,15)8-3-1-7(2-4-8)9-5-10(12(16,17)18)20-6-19-9/h1-5,20H,6H2.
What are the key properties of 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine?
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine has a molecular weight of 294.20 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine is sourced from PubChem (CID 141185370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).