4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine

C10H6ClF3N4O — CID 80862866

IUPAC4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C10H6ClF3N4O/c11-7-16-8(15)18-9(17-7)19-6-4-2-1-3-5(6)10(12,13)14/h1-4H,(H2,15,16,17,18)
InChIKeyBGITYMKDOSKCLR-UHFFFAOYSA-N
MW290.63 g/mol
LogP2.92
Rot. Bonds2

About 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine

4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine (PubChem CID 80862866) has the molecular formula C10H6ClF3N4O and a molecular weight of 290.63 g/mol. Its IUPAC name is 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine
PubChem CID80862866
Molecular FormulaC10H6ClF3N4O
Molecular Weight290.63 g/mol
Exact Mass290.02
IUPAC Name4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C10H6ClF3N4O/c11-7-16-8(15)18-9(17-7)19-6-4-2-1-3-5(6)10(12,13)14/h1-4H,(H2,15,16,17,18)
InChIKeyBGITYMKDOSKCLR-UHFFFAOYSA-N
XLogP2.92
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine (CID 80862866) is 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine?
The InChIKey is BGITYMKDOSKCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N4O/c11-7-16-8(15)18-9(17-7)19-6-4-2-1-3-5(6)10(12,13)14/h1-4H,(H2,15,16,17,18).
What are the key properties of 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine?
4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine has a molecular weight of 290.63 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80862866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).