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VZESVWZOIPYDCB-UHFFFAOYSA-N

C8H8ClF3N2 — CID 82192180

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-chloro-4-propan-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H8ClF3N2/c1-4(2)5-3-6(8(10,11)12)14-7(9)13-5/h3-4H,1-2H3
InChIKeyVZESVWZOIPYDCB-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.27
Rot. Bonds1

About VZESVWZOIPYDCB-UHFFFAOYSA-N

VZESVWZOIPYDCB-UHFFFAOYSA-N (PubChem CID 82192180) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-chloro-4-propan-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound NameVZESVWZOIPYDCB-UHFFFAOYSA-N
PubChem CID82192180
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name2-chloro-4-propan-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H8ClF3N2/c1-4(2)5-3-6(8(10,11)12)14-7(9)13-5/h3-4H,1-2H3
InChIKeyVZESVWZOIPYDCB-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of VZESVWZOIPYDCB-UHFFFAOYSA-N?
The IUPAC name of VZESVWZOIPYDCB-UHFFFAOYSA-N (CID 82192180) is 2-chloro-4-propan-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for VZESVWZOIPYDCB-UHFFFAOYSA-N?
The canonical SMILES for VZESVWZOIPYDCB-UHFFFAOYSA-N is CC(C)c1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of VZESVWZOIPYDCB-UHFFFAOYSA-N?
The InChIKey is VZESVWZOIPYDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c1-4(2)5-3-6(8(10,11)12)14-7(9)13-5/h3-4H,1-2H3.
What are the key properties of VZESVWZOIPYDCB-UHFFFAOYSA-N?
VZESVWZOIPYDCB-UHFFFAOYSA-N has a molecular weight of 224.61 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for VZESVWZOIPYDCB-UHFFFAOYSA-N is sourced from PubChem (CID 82192180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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