4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine

C7H6ClF3N4O — CID 19006223

IUPAC4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(F)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C7H6ClF3N4O/c1-2-3-12-5-13-4(9)14-6(15-5)16-7(8,10)11/h2H,1,3H2,(H,12,13,14,15)
InChIKeyFTEGIRALWKTBTE-UHFFFAOYSA-N
MW254.60 g/mol
LogP1.78
Rot. Bonds5

About 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine

4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 19006223) has the molecular formula C7H6ClF3N4O and a molecular weight of 254.60 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID19006223
Molecular FormulaC7H6ClF3N4O
Molecular Weight254.60 g/mol
Exact Mass254.02
IUPAC Name4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(F)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C7H6ClF3N4O/c1-2-3-12-5-13-4(9)14-6(15-5)16-7(8,10)11/h2H,1,3H2,(H,12,13,14,15)
InChIKeyFTEGIRALWKTBTE-UHFFFAOYSA-N
XLogP1.78
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.60
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 19006223) is 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(F)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is FTEGIRALWKTBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N4O/c1-2-3-12-5-13-4(9)14-6(15-5)16-7(8,10)11/h2H,1,3H2,(H,12,13,14,15).
What are the key properties of 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 254.60 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).