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

C7H6ClF3N4O — CID 19006210

IUPAC4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(Cl)nc(OC(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N4O/c1-2-3-12-5-13-4(8)14-6(15-5)16-7(9,10)11/h2H,1,3H2,(H,12,13,14,15)
InChIKeyCEYSQNBTJJIRJR-UHFFFAOYSA-N
MW254.60 g/mol
LogP2.02
Rot. Bonds4

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

4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (PubChem CID 19006210) has the molecular formula C7H6ClF3N4O and a molecular weight of 254.60 g/mol. Its IUPAC name is 4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
PubChem CID19006210
Molecular FormulaC7H6ClF3N4O
Molecular Weight254.60 g/mol
Exact Mass254.02
IUPAC Name4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(Cl)nc(OC(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N4O/c1-2-3-12-5-13-4(8)14-6(15-5)16-7(9,10)11/h2H,1,3H2,(H,12,13,14,15)
InChIKeyCEYSQNBTJJIRJR-UHFFFAOYSA-N
XLogP2.02
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.60
LogP ≤ 52.02
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

N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
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-[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
4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine
CID 88719283

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (CID 19006210) is 4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is C=CCNc1nc(Cl)nc(OC(F)(F)F)n1.
What is the InChIKey of 4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is CEYSQNBTJJIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N4O/c1-2-3-12-5-13-4(8)14-6(15-5)16-7(9,10)11/h2H,1,3H2,(H,12,13,14,15).
What are the key properties of 4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 254.60 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).