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

C9H10ClF3N2 — CID 61392937

IUPAC4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCC(C)c1cc(Cl)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2/c1-5(2)6-3-7(10)15-8(14-6)4-9(11,12)13/h3,5H,4H2,1-2H3
InChIKeyHHBACJLHZAOEOU-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.36
Rot. Bonds2

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

4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 61392937) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID61392937
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCC(C)c1cc(Cl)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2/c1-5(2)6-3-7(10)15-8(14-6)4-9(11,12)13/h3,5H,4H2,1-2H3
InChIKeyHHBACJLHZAOEOU-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine (CID 61392937) is 4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine is CC(C)c1cc(Cl)nc(CC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is HHBACJLHZAOEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-5(2)6-3-7(10)15-8(14-6)4-9(11,12)13/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine?
4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 238.64 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 61392937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).