2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine

C8H6ClF3N2O2 — CID 139534887

IUPAC2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1OC1COC1
InChIInChI=1S/C8H6ClF3N2O2/c9-7-13-1-5(8(10,11)12)6(14-7)16-4-2-15-3-4/h1,4H,2-3H2
InChIKeyJBTDIOIYFDNDDX-UHFFFAOYSA-N
MW254.59 g/mol
LogP1.93
Rot. Bonds2

About 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine

2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine (PubChem CID 139534887) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine
PubChem CID139534887
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1OC1COC1
InChIInChI=1S/C8H6ClF3N2O2/c9-7-13-1-5(8(10,11)12)6(14-7)16-4-2-15-3-4/h1,4H,2-3H2
InChIKeyJBTDIOIYFDNDDX-UHFFFAOYSA-N
XLogP1.93
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine (CID 139534887) is 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(Cl)nc1OC1COC1.
What is the InChIKey of 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine?
The InChIKey is JBTDIOIYFDNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c9-7-13-1-5(8(10,11)12)6(14-7)16-4-2-15-3-4/h1,4H,2-3H2.
What are the key properties of 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine?
2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine has a molecular weight of 254.59 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 139534887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).