4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine

C11H12F6N2O2 — CID 122470194

IUPAC4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)c1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H12F6N2O2/c1-6(2)7-3-8(20-4-10(12,13)14)19-9(18-7)21-5-11(15,16)17/h3,6H,4-5H2,1-2H3
InChIKeyPGWFCZNDNUZGQN-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.48
Rot. Bonds5

About 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine

4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 122470194) has the molecular formula C11H12F6N2O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID122470194
Molecular FormulaC11H12F6N2O2
Molecular Weight318.22 g/mol
Exact Mass318.08
IUPAC Name4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)c1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H12F6N2O2/c1-6(2)7-3-8(20-4-10(12,13)14)19-9(18-7)21-5-11(15,16)17/h3,6H,4-5H2,1-2H3
InChIKeyPGWFCZNDNUZGQN-UHFFFAOYSA-N
XLogP3.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine (CID 122470194) is 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine is CC(C)c1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is PGWFCZNDNUZGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N2O2/c1-6(2)7-3-8(20-4-10(12,13)14)19-9(18-7)21-5-11(15,16)17/h3,6H,4-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 318.22 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 122470194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).