4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine

C9H14BrFN4O — CID 14029063

IUPAC4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(F)nc(OCCBr)n1
InChIInChI=1S/C9H14BrFN4O/c1-3-15(4-2)8-12-7(11)13-9(14-8)16-6-5-10/h3-6H2,1-2H3
InChIKeyFVVVNLIQLLIJSQ-UHFFFAOYSA-N
MW293.14 g/mol
LogP1.63
Rot. Bonds6

About 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine

4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine (PubChem CID 14029063) has the molecular formula C9H14BrFN4O and a molecular weight of 293.14 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine
PubChem CID14029063
Molecular FormulaC9H14BrFN4O
Molecular Weight293.14 g/mol
Exact Mass292.03
IUPAC Name4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(F)nc(OCCBr)n1
InChIInChI=1S/C9H14BrFN4O/c1-3-15(4-2)8-12-7(11)13-9(14-8)16-6-5-10/h3-6H2,1-2H3
InChIKeyFVVVNLIQLLIJSQ-UHFFFAOYSA-N
XLogP1.63
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine (CID 14029063) is 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine is CCN(CC)c1nc(F)nc(OCCBr)n1.
What is the InChIKey of 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine?
The InChIKey is FVVVNLIQLLIJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrFN4O/c1-3-15(4-2)8-12-7(11)13-9(14-8)16-6-5-10/h3-6H2,1-2H3.
What are the key properties of 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine?
4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine has a molecular weight of 293.14 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-N,N-diethyl-6-fluoro-1,3,5-triazin-2-amine is sourced from PubChem (CID 14029063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).