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

C6H5F3N4 — CID 88738303

IUPACN,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCN(F)c1nc(F)nc(F)n1
InChIInChI=1S/C6H5F3N4/c1-2-3-13(9)6-11-4(7)10-5(8)12-6/h2H,1,3H2
InChIKeyMXRFDTYYRXJNLM-UHFFFAOYSA-N
MW190.13 g/mol
LogP1.03
Rot. Bonds3

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

N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 88738303) has the molecular formula C6H5F3N4 and a molecular weight of 190.13 g/mol. Its IUPAC name is N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID88738303
Molecular FormulaC6H5F3N4
Molecular Weight190.13 g/mol
Exact Mass190.05
IUPAC NameN,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCN(F)c1nc(F)nc(F)n1
InChIInChI=1S/C6H5F3N4/c1-2-3-13(9)6-11-4(7)10-5(8)12-6/h2H,1,3H2
InChIKeyMXRFDTYYRXJNLM-UHFFFAOYSA-N
XLogP1.03
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 51.03
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-difluoro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 70579900
4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 70598290
4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 88719282
6-fluoro-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89978266
4-chloro-6-fluoro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 141655645

Frequently Asked Questions

What is the IUPAC name of N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 88738303) is N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCN(F)c1nc(F)nc(F)n1.
What is the InChIKey of N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is MXRFDTYYRXJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4/c1-2-3-13(9)6-11-4(7)10-5(8)12-6/h2H,1,3H2.
What are the key properties of N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 190.13 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trifluoro-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 88738303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).