4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine

C6H5Cl2FN4 — CID 88719282

IUPAC4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCN(F)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2FN4/c1-2-3-13(9)6-11-4(7)10-5(8)12-6/h2H,1,3H2
InChIKeyXUINANMXUABBGR-UHFFFAOYSA-N
MW223.04 g/mol
LogP2.06
Rot. Bonds3

About 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine

4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 88719282) has the molecular formula C6H5Cl2FN4 and a molecular weight of 223.04 g/mol. Its IUPAC name is 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID88719282
Molecular FormulaC6H5Cl2FN4
Molecular Weight223.04 g/mol
Exact Mass221.99
IUPAC Name4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCN(F)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2FN4/c1-2-3-13(9)6-11-4(7)10-5(8)12-6/h2H,1,3H2
InChIKeyXUINANMXUABBGR-UHFFFAOYSA-N
XLogP2.06
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dichloro-N,N-di-2-propen-1-yl-1,3,5-triazin-2-amine
CID 97190
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
s-Triazine, 2-chloro-4,6-bis(diallylamino)-
CID 95021
4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine
CID 88719283
N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 88738303
4-chloro-6-fluoro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 141655645
4-chloro-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 141655646
4,6-dichloro-N-(3-fluoroprop-2-enyl)-1,3,5-triazin-2-amine
CID 173424704
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile
CID 110192281

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 88719282) is 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCN(F)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is XUINANMXUABBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN4/c1-2-3-13(9)6-11-4(7)10-5(8)12-6/h2H,1,3H2.
What are the key properties of 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 223.04 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 88719282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).