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

C9H10ClF3N2O — CID 80949121

IUPAC4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)c1nc(Cl)cc(OCC(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-5(2)8-14-6(10)3-7(15-8)16-4-9(11,12)13/h3,5H,4H2,1-2H3
InChIKeyIXPODKDUKLISLD-UHFFFAOYSA-N
MW254.64 g/mol
LogP3.19
Rot. Bonds3

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

4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 80949121) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID80949121
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)c1nc(Cl)cc(OCC(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-5(2)8-14-6(10)3-7(15-8)16-4-9(11,12)13/h3,5H,4H2,1-2H3
InChIKeyIXPODKDUKLISLD-UHFFFAOYSA-N
XLogP3.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine (CID 80949121) is 4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine is CC(C)c1nc(Cl)cc(OCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is IXPODKDUKLISLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-5(2)8-14-6(10)3-7(15-8)16-4-9(11,12)13/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine?
4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 254.64 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 80949121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).