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

C8H6Cl2F4N4O2 — CID 57283139

IUPAC4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(F)(F)Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C8H6Cl2F4N4O2/c1-2-3-15-4-16-5(19-7(9,11)12)18-6(17-4)20-8(10,13)14/h2H,1,3H2,(H,15,16,17,18)
InChIKeyDDTRPLVBVNALSU-UHFFFAOYSA-N
MW337.06 g/mol
LogP2.81
Rot. Bonds7

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

4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 57283139) has the molecular formula C8H6Cl2F4N4O2 and a molecular weight of 337.06 g/mol. Its IUPAC name is 4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID57283139
Molecular FormulaC8H6Cl2F4N4O2
Molecular Weight337.06 g/mol
Exact Mass335.98
IUPAC Name4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(F)(F)Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C8H6Cl2F4N4O2/c1-2-3-15-4-16-5(19-7(9,11)12)18-6(17-4)20-8(10,13)14/h2H,1,3H2,(H,15,16,17,18)
InChIKeyDDTRPLVBVNALSU-UHFFFAOYSA-N
XLogP2.81
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
3-N,6-N-bis(prop-2-enyl)-1,2,4,5-tetrazine-3,6-diamine
CID 535108
4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 118864845
4,6-bis(methylsulfanyl)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 70472682
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066
6-butoxy-2-N-[4-[[4-butoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 110189456
5-chloro-N-prop-2-enylpyrimidin-2-amine
CID 79555505
6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 15729053
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
N-prop-2-enyl-1,3,5-triazin-2-amine
CID 54016589
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 23787663

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 57283139) is 4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(OC(F)(F)Cl)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is DDTRPLVBVNALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F4N4O2/c1-2-3-15-4-16-5(19-7(9,11)12)18-6(17-4)20-8(10,13)14/h2H,1,3H2,(H,15,16,17,18).
What are the key properties of 4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 337.06 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 57283139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).