4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine

C6H7ClF2N4O — CID 23177732

IUPAC4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OC(F)F)n1
InChIInChI=1S/C6H7ClF2N4O/c1-13(2)5-10-3(7)11-6(12-5)14-4(8)9/h4H,1-2H3
InChIKeyYQUWUQPGGYVSEX-UHFFFAOYSA-N
MW224.60 g/mol
LogP1.19
Rot. Bonds3

About 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 23177732) has the molecular formula C6H7ClF2N4O and a molecular weight of 224.60 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID23177732
Molecular FormulaC6H7ClF2N4O
Molecular Weight224.60 g/mol
Exact Mass224.03
IUPAC Name4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OC(F)F)n1
InChIInChI=1S/C6H7ClF2N4O/c1-13(2)5-10-3(7)11-6(12-5)14-4(8)9/h4H,1-2H3
InChIKeyYQUWUQPGGYVSEX-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 23177732) is 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(OC(F)F)n1.
What is the InChIKey of 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is YQUWUQPGGYVSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N4O/c1-13(2)5-10-3(7)11-6(12-5)14-4(8)9/h4H,1-2H3.
What are the key properties of 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 224.60 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23177732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).