4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine

C8H6Cl2F4N2 — CID 129197971

IUPAC4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine
SMILESFc1c(Cl)nc(CCCC(F)(F)F)nc1Cl
InChIInChI=1S/C8H6Cl2F4N2/c9-6-5(11)7(10)16-4(15-6)2-1-3-8(12,13)14/h1-3H2
InChIKeyMXLYLTILMUQPHA-UHFFFAOYSA-N
MW277.05 g/mol
LogP3.81
Rot. Bonds3

About 4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine

4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine (PubChem CID 129197971) has the molecular formula C8H6Cl2F4N2 and a molecular weight of 277.05 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine
PubChem CID129197971
Molecular FormulaC8H6Cl2F4N2
Molecular Weight277.05 g/mol
Exact Mass275.98
IUPAC Name4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine
SMILESFc1c(Cl)nc(CCCC(F)(F)F)nc1Cl
InChIInChI=1S/C8H6Cl2F4N2/c9-6-5(11)7(10)16-4(15-6)2-1-3-8(12,13)14/h1-3H2
InChIKeyMXLYLTILMUQPHA-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.05
LogP ≤ 53.81
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-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine (CID 129197971) is 4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine is Fc1c(Cl)nc(CCCC(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine?
The InChIKey is MXLYLTILMUQPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F4N2/c9-6-5(11)7(10)16-4(15-6)2-1-3-8(12,13)14/h1-3H2.
What are the key properties of 4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine has a molecular weight of 277.05 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(4,4,4-trifluorobutyl)pyrimidine is sourced from PubChem (CID 129197971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).