N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C8H6F6N4O — CID 19006219

IUPACN-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6F6N4O/c1-2-3-15-5-16-4(7(9,10)11)17-6(18-5)19-8(12,13)14/h2H,1,3H2,(H,15,16,17,18)
InChIKeyQWKRTCZXNCPBRC-UHFFFAOYSA-N
MW288.15 g/mol
LogP2.39
Rot. Bonds4

About N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 19006219) has the molecular formula C8H6F6N4O and a molecular weight of 288.15 g/mol. Its IUPAC name is N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID19006219
Molecular FormulaC8H6F6N4O
Molecular Weight288.15 g/mol
Exact Mass288.04
IUPAC NameN-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6F6N4O/c1-2-3-15-5-16-4(7(9,10)11)17-6(18-5)19-8(12,13)14/h2H,1,3H2,(H,15,16,17,18)
InChIKeyQWKRTCZXNCPBRC-UHFFFAOYSA-N
XLogP2.39
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-6-methyl-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 657559
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(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 19006223
4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006227
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 N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 19006219) is N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is C=CCNc1nc(OC(F)(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is QWKRTCZXNCPBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N4O/c1-2-3-15-5-16-4(7(9,10)11)17-6(18-5)19-8(12,13)14/h2H,1,3H2,(H,15,16,17,18).
What are the key properties of N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 288.15 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).