2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone

C10H8F6N2O — CID 15783751

IUPAC2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone
SMILESCC(C)c1ncc(C(=O)C(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F6N2O/c1-4(2)8-17-3-5(7(19)10(14,15)16)6(18-8)9(11,12)13/h3-4H,1-2H3
InChIKeyWOSVRMQDEZFEAR-UHFFFAOYSA-N
MW286.18 g/mol
LogP3.36
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone

2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone (PubChem CID 15783751) has the molecular formula C10H8F6N2O and a molecular weight of 286.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone
PubChem CID15783751
Molecular FormulaC10H8F6N2O
Molecular Weight286.18 g/mol
Exact Mass286.05
IUPAC Name2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone
SMILESCC(C)c1ncc(C(=O)C(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F6N2O/c1-4(2)8-17-3-5(7(19)10(14,15)16)6(18-8)9(11,12)13/h3-4H,1-2H3
InChIKeyWOSVRMQDEZFEAR-UHFFFAOYSA-N
XLogP3.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone (CID 15783751) is 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone is CC(C)c1ncc(C(=O)C(F)(F)F)c(C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone?
The InChIKey is WOSVRMQDEZFEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O/c1-4(2)8-17-3-5(7(19)10(14,15)16)6(18-8)9(11,12)13/h3-4H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone?
2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone has a molecular weight of 286.18 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 15783751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).