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

C8H6ClF5N4O — CID 19006227

IUPAC4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(F)(F)Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6ClF5N4O/c1-2-3-15-5-16-4(7(10,11)12)17-6(18-5)19-8(9,13)14/h2H,1,3H2,(H,15,16,17,18)
InChIKeyTUHOPHJIWQPPGZ-UHFFFAOYSA-N
MW304.61 g/mol
LogP2.66
Rot. Bonds5

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

4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 19006227) has the molecular formula C8H6ClF5N4O and a molecular weight of 304.61 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID19006227
Molecular FormulaC8H6ClF5N4O
Molecular Weight304.61 g/mol
Exact Mass304.02
IUPAC Name4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(F)(F)Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6ClF5N4O/c1-2-3-15-5-16-4(7(10,11)12)17-6(18-5)19-8(9,13)14/h2H,1,3H2,(H,15,16,17,18)
InChIKeyTUHOPHJIWQPPGZ-UHFFFAOYSA-N
XLogP2.66
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.61
LogP ≤ 52.66
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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Related Compounds

1,3,5-Triazine, 2-allylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 550109
4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006210
N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006212
4-chloro-6-[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 19006215
N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006219
4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 19006223
4-fluoro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006230
4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 57283139
6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 130008702

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 19006227) is 4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is C=CCNc1nc(OC(F)(F)Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is TUHOPHJIWQPPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N4O/c1-2-3-15-5-16-4(7(10,11)12)17-6(18-5)19-8(9,13)14/h2H,1,3H2,(H,15,16,17,18).
What are the key properties of 4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 304.61 g/mol, XLogP of 2.66, 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]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).