6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C10H7ClF3N5 — CID 23275234

IUPAC6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C10H7ClF3N5/c11-6-2-1-4(10(12,13)14)3-5(6)7-17-8(15)19-9(16)18-7/h1-3H,(H4,15,16,17,18,19)
InChIKeyXAFPKAVAVFUQGK-UHFFFAOYSA-N
MW289.65 g/mol
LogP2.38
Rot. Bonds1

About 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 23275234) has the molecular formula C10H7ClF3N5 and a molecular weight of 289.65 g/mol. Its IUPAC name is 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID23275234
Molecular FormulaC10H7ClF3N5
Molecular Weight289.65 g/mol
Exact Mass289.03
IUPAC Name6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C10H7ClF3N5/c11-6-2-1-4(10(12,13)14)3-5(6)7-17-8(15)19-9(16)18-7/h1-3H,(H4,15,16,17,18,19)
InChIKeyXAFPKAVAVFUQGK-UHFFFAOYSA-N
XLogP2.38
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.65
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 23275234) is 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XAFPKAVAVFUQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N5/c11-6-2-1-4(10(12,13)14)3-5(6)7-17-8(15)19-9(16)18-7/h1-3H,(H4,15,16,17,18,19).
What are the key properties of 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 289.65 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23275234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).