2,5-dichloro-4-(trifluoromethyl)pyrimidine

C5HCl2F3N2 — CID 11356382

IUPAC2,5-dichloro-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)ncc1Cl
InChIInChI=1S/C5HCl2F3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H
InChIKeyTXXQDEGSBJJCSM-UHFFFAOYSA-N
MW216.98 g/mol
LogP2.80
Rot. Bonds

About 2,5-dichloro-4-(trifluoromethyl)pyrimidine

2,5-dichloro-4-(trifluoromethyl)pyrimidine (PubChem CID 11356382) has the molecular formula C5HCl2F3N2 and a molecular weight of 216.98 g/mol. Its IUPAC name is 2,5-dichloro-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(trifluoromethyl)pyrimidine
PubChem CID11356382
Molecular FormulaC5HCl2F3N2
Molecular Weight216.98 g/mol
Exact Mass215.95
IUPAC Name2,5-dichloro-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)ncc1Cl
InChIInChI=1S/C5HCl2F3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H
InChIKeyTXXQDEGSBJJCSM-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.98
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(trifluoromethyl)pyrimidine (CID 11356382) is 2,5-dichloro-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-(trifluoromethyl)pyrimidine?
The InChIKey is TXXQDEGSBJJCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2F3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H.
What are the key properties of 2,5-dichloro-4-(trifluoromethyl)pyrimidine?
2,5-dichloro-4-(trifluoromethyl)pyrimidine has a molecular weight of 216.98 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11356382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).