2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine

C11H14ClF3N4O — CID 82789263

IUPAC2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
SMILESFC(F)(F)CCCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H14ClF3N4O/c12-8-16-9(19-5-1-2-6-19)18-10(17-8)20-7-3-4-11(13,14)15/h1-7H2
InChIKeyFSZWNDOPPJGNCW-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.85
Rot. Bonds5

About 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine

2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine (PubChem CID 82789263) has the molecular formula C11H14ClF3N4O and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
PubChem CID82789263
Molecular FormulaC11H14ClF3N4O
Molecular Weight310.71 g/mol
Exact Mass310.08
IUPAC Name2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
SMILESFC(F)(F)CCCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H14ClF3N4O/c12-8-16-9(19-5-1-2-6-19)18-10(17-8)20-7-3-4-11(13,14)15/h1-7H2
InChIKeyFSZWNDOPPJGNCW-UHFFFAOYSA-N
XLogP2.85
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine (CID 82789263) is 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine is FC(F)(F)CCCOc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine?
The InChIKey is FSZWNDOPPJGNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O/c12-8-16-9(19-5-1-2-6-19)18-10(17-8)20-7-3-4-11(13,14)15/h1-7H2.
What are the key properties of 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine?
2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine has a molecular weight of 310.71 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine is sourced from PubChem (CID 82789263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).