4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C10H10F5N3O — CID 81223652

IUPAC4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)C(F)(F)COc1ncnc2c1CNCC2
InChIInChI=1S/C10H10F5N3O/c11-9(12,10(13,14)15)4-19-8-6-3-16-2-1-7(6)17-5-18-8/h5,16H,1-4H2
InChIKeyROOIKJKBWXIIJO-UHFFFAOYSA-N
MW283.20 g/mol
LogP1.70
Rot. Bonds3

About 4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81223652) has the molecular formula C10H10F5N3O and a molecular weight of 283.20 g/mol. Its IUPAC name is 4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81223652
Molecular FormulaC10H10F5N3O
Molecular Weight283.20 g/mol
Exact Mass283.07
IUPAC Name4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)C(F)(F)COc1ncnc2c1CNCC2
InChIInChI=1S/C10H10F5N3O/c11-9(12,10(13,14)15)4-19-8-6-3-16-2-1-7(6)17-5-18-8/h5,16H,1-4H2
InChIKeyROOIKJKBWXIIJO-UHFFFAOYSA-N
XLogP1.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81223652) is 4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is FC(F)(F)C(F)(F)COc1ncnc2c1CNCC2.
What is the InChIKey of 4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ROOIKJKBWXIIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N3O/c11-9(12,10(13,14)15)4-19-8-6-3-16-2-1-7(6)17-5-18-8/h5,16H,1-4H2.
What are the key properties of 4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 283.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81223652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).