4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine

C6H7ClF2N4O — CID 56981742

IUPAC4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1ncnc(OC(F)(F)Cl)n1
InChIInChI=1S/C6H7ClF2N4O/c1-13(2)4-10-3-11-5(12-4)14-6(7,8)9/h3H,1-2H3
InChIKeyUWOVHNMPRVUVLH-UHFFFAOYSA-N
MW224.60 g/mol
LogP1.11
Rot. Bonds3

About 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine

4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 56981742) has the molecular formula C6H7ClF2N4O and a molecular weight of 224.60 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID56981742
Molecular FormulaC6H7ClF2N4O
Molecular Weight224.60 g/mol
Exact Mass224.03
IUPAC Name4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1ncnc(OC(F)(F)Cl)n1
InChIInChI=1S/C6H7ClF2N4O/c1-13(2)4-10-3-11-5(12-4)14-6(7,8)9/h3H,1-2H3
InChIKeyUWOVHNMPRVUVLH-UHFFFAOYSA-N
XLogP1.11
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
6-[chloro(difluoro)methoxy]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 15010400
2-Fluoro-4-methoxy-1,3,5-triazine
CID 17959652
2-Fluoro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104342
2-Chloro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104351
2-[Chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104360
2-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 23177732
2-(Difluoromethoxy)-1,3,5-triazine
CID 70378207
2-Chloro-4-(difluoromethoxy)-1,3,5-triazine
CID 88425688
4-(Trifluoromethoxy)-1,3,5-triazin-2-amine
CID 142632733
2-Chloro-4-methoxy-1,3,5-triazine
CID 17959654

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine (CID 56981742) is 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1ncnc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is UWOVHNMPRVUVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N4O/c1-13(2)4-10-3-11-5(12-4)14-6(7,8)9/h3H,1-2H3.
What are the key properties of 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 224.60 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 56981742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).