4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine

C8H6ClF3N2 — CID 83399480

IUPAC4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C8H6ClF3N2/c9-6-3-5(8(10,11)12)13-7(14-6)4-1-2-4/h3-4H,1-2H2
InChIKeyKIFRRYLRMKLLGP-UHFFFAOYSA-N
MW222.60 g/mol
LogP3.03
Rot. Bonds1

About 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine

4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine (PubChem CID 83399480) has the molecular formula C8H6ClF3N2 and a molecular weight of 222.60 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine
PubChem CID83399480
Molecular FormulaC8H6ClF3N2
Molecular Weight222.60 g/mol
Exact Mass222.02
IUPAC Name4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C8H6ClF3N2/c9-6-3-5(8(10,11)12)13-7(14-6)4-1-2-4/h3-4H,1-2H2
InChIKeyKIFRRYLRMKLLGP-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.60
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine (CID 83399480) is 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is KIFRRYLRMKLLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2/c9-6-3-5(8(10,11)12)13-7(14-6)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine?
4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 222.60 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 83399480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).