4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine

C6H3Cl2F3N2 — CID 11333706

IUPAC4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C6H3Cl2F3N2/c7-4-3(1-6(9,10)11)5(8)13-2-12-4/h2H,1H2
InChIKeyBCLADOBTCMJMKV-UHFFFAOYSA-N
MW231.00 g/mol
LogP2.89
Rot. Bonds1

About 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine

4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 11333706) has the molecular formula C6H3Cl2F3N2 and a molecular weight of 231.00 g/mol. Its IUPAC name is 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID11333706
Molecular FormulaC6H3Cl2F3N2
Molecular Weight231.00 g/mol
Exact Mass229.96
IUPAC Name4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C6H3Cl2F3N2/c7-4-3(1-6(9,10)11)5(8)13-2-12-4/h2H,1H2
InChIKeyBCLADOBTCMJMKV-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.00
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine (CID 11333706) is 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine is FC(F)(F)Cc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is BCLADOBTCMJMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2/c7-4-3(1-6(9,10)11)5(8)13-2-12-4/h2H,1H2.
What are the key properties of 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine?
4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 231.00 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 11333706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).