4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine

C7H5Cl2F3N2 — CID 79952864

IUPAC4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H5Cl2F3N2/c8-4-3-5(9)14-6(13-4)1-2-7(10,11)12/h3H,1-2H2
InChIKeySNGJBMAMEMEBDC-UHFFFAOYSA-N
MW245.03 g/mol
LogP3.28
Rot. Bonds2

About 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine

4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 79952864) has the molecular formula C7H5Cl2F3N2 and a molecular weight of 245.03 g/mol. Its IUPAC name is 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID79952864
Molecular FormulaC7H5Cl2F3N2
Molecular Weight245.03 g/mol
Exact Mass243.98
IUPAC Name4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H5Cl2F3N2/c8-4-3-5(9)14-6(13-4)1-2-7(10,11)12/h3H,1-2H2
InChIKeySNGJBMAMEMEBDC-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine (CID 79952864) is 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine is FC(F)(F)CCc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is SNGJBMAMEMEBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2/c8-4-3-5(9)14-6(13-4)1-2-7(10,11)12/h3H,1-2H2.
What are the key properties of 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine?
4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 245.03 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 79952864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).