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

C8H6F6N4O2 — CID 19006212

IUPACN-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1
InChIInChI=1S/C8H6F6N4O2/c1-2-3-15-4-16-5(19-7(9,10)11)18-6(17-4)20-8(12,13)14/h2H,1,3H2,(H,15,16,17,18)
InChIKeyYVDZLZVMFHMVNQ-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.27
Rot. Bonds5

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

N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine (PubChem CID 19006212) has the molecular formula C8H6F6N4O2 and a molecular weight of 304.15 g/mol. Its IUPAC name is N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
PubChem CID19006212
Molecular FormulaC8H6F6N4O2
Molecular Weight304.15 g/mol
Exact Mass304.04
IUPAC NameN-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1
InChIInChI=1S/C8H6F6N4O2/c1-2-3-15-4-16-5(19-7(9,10)11)18-6(17-4)20-8(12,13)14/h2H,1,3H2,(H,15,16,17,18)
InChIKeyYVDZLZVMFHMVNQ-UHFFFAOYSA-N
XLogP2.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 5304492
CID 2056339
1,3,5-Triazine, 2-allylamino-4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-
CID 549774
4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006210
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-[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
4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 70598290
6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 176847625

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine (CID 19006212) is N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine is C=CCNc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1.
What is the InChIKey of N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is YVDZLZVMFHMVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N4O2/c1-2-3-15-4-16-5(19-7(9,10)11)18-6(17-4)20-8(12,13)14/h2H,1,3H2,(H,15,16,17,18).
What are the key properties of N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine?
N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 304.15 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).