2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

C7H5Cl2F3N2O — CID 79633188

IUPAC2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(Oc1nc(Cl)ncc1Cl)C(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O/c1-3(7(10,11)12)15-5-4(8)2-13-6(9)14-5/h2-3H,1H3
InChIKeyZERCPGMSQHFEMI-UHFFFAOYSA-N
MW261.03 g/mol
LogP3.11
Rot. Bonds2

About 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (PubChem CID 79633188) has the molecular formula C7H5Cl2F3N2O and a molecular weight of 261.03 g/mol. Its IUPAC name is 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
PubChem CID79633188
Molecular FormulaC7H5Cl2F3N2O
Molecular Weight261.03 g/mol
Exact Mass259.97
IUPAC Name2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(Oc1nc(Cl)ncc1Cl)C(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O/c1-3(7(10,11)12)15-5-4(8)2-13-6(9)14-5/h2-3H,1H3
InChIKeyZERCPGMSQHFEMI-UHFFFAOYSA-N
XLogP3.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (CID 79633188) is 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is CC(Oc1nc(Cl)ncc1Cl)C(F)(F)F.
What is the InChIKey of 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The InChIKey is ZERCPGMSQHFEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2O/c1-3(7(10,11)12)15-5-4(8)2-13-6(9)14-5/h2-3H,1H3.
What are the key properties of 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine has a molecular weight of 261.03 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is sourced from PubChem (CID 79633188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).