4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine

C7H5ClF4N2O — CID 61277130

IUPAC4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
SMILESFC(F)C(F)(F)COc1cc(Cl)ncn1
InChIInChI=1S/C7H5ClF4N2O/c8-4-1-5(14-3-13-4)15-2-7(11,12)6(9)10/h1,3,6H,2H2
InChIKeyPULKZMGPZIGNRN-UHFFFAOYSA-N
MW244.58 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine

4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine (PubChem CID 61277130) has the molecular formula C7H5ClF4N2O and a molecular weight of 244.58 g/mol. Its IUPAC name is 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
PubChem CID61277130
Molecular FormulaC7H5ClF4N2O
Molecular Weight244.58 g/mol
Exact Mass244.00
IUPAC Name4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
SMILESFC(F)C(F)(F)COc1cc(Cl)ncn1
InChIInChI=1S/C7H5ClF4N2O/c8-4-1-5(14-3-13-4)15-2-7(11,12)6(9)10/h1,3,6H,2H2
InChIKeyPULKZMGPZIGNRN-UHFFFAOYSA-N
XLogP2.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.58
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine (CID 61277130) is 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine is FC(F)C(F)(F)COc1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
The InChIKey is PULKZMGPZIGNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF4N2O/c8-4-1-5(14-3-13-4)15-2-7(11,12)6(9)10/h1,3,6H,2H2.
What are the key properties of 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine has a molecular weight of 244.58 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine is sourced from PubChem (CID 61277130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).