2-but-3-enoxy-4,6-dichloro-1,3,5-triazine

C7H7Cl2N3O — CID 62859572

IUPAC2-but-3-enoxy-4,6-dichloro-1,3,5-triazine
SMILESC=CCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2H,1,3-4H2
InChIKeyXAFCVFGERAQUBV-UHFFFAOYSA-N
MW220.06 g/mol
LogP2.13
Rot. Bonds4

About 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine

2-but-3-enoxy-4,6-dichloro-1,3,5-triazine (PubChem CID 62859572) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-but-3-enoxy-4,6-dichloro-1,3,5-triazine
PubChem CID62859572
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name2-but-3-enoxy-4,6-dichloro-1,3,5-triazine
SMILESC=CCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2H,1,3-4H2
InChIKeyXAFCVFGERAQUBV-UHFFFAOYSA-N
XLogP2.13
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Allyloxy)-4,6-dichloro-1,3,5-triazine
CID 33571
2-[(E)-but-1-enoxy]-4,6-dichloro-1,3,5-triazine
CID 20321388
2-But-1-enoxy-4,6-dichloro-1,3,5-triazine
CID 73676226
2,4,6-Tris(but-3-enoxy)-1,3,5-triazine
CID 142394350
2,4-Dichloro-6-pent-1-enoxy-1,3,5-triazine
CID 154257740
2,4-Dichloro-6-prop-1-enoxy-1,3,5-triazine
CID 155664141
2-But-3-enoxy-4-chloro-6-ethoxy-1,3,5-triazine
CID 62857369
2-But-3-enoxy-4-chloro-6-methoxy-1,3,5-triazine
CID 62858806
2-But-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine
CID 62869271
2-But-3-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 62869272
4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62869613
2-Chloro-4-ethoxy-6-pent-4-enoxy-1,3,5-triazine
CID 79112950

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine (CID 62859572) is 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine is C=CCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine?
The InChIKey is XAFCVFGERAQUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2H,1,3-4H2.
What are the key properties of 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine?
2-but-3-enoxy-4,6-dichloro-1,3,5-triazine has a molecular weight of 220.06 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 62859572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).