4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine

C5H6ClFN4 — CID 12040787

IUPAC4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine
SMILESCC(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C5H6ClFN4/c1-2(7)3-9-4(6)11-5(8)10-3/h2H,1H3,(H2,8,9,10,11)
InChIKeyQUECAGJLBJWOLE-UHFFFAOYSA-N
MW176.58 g/mol
LogP1.14
Rot. Bonds1

About 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine

4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 12040787) has the molecular formula C5H6ClFN4 and a molecular weight of 176.58 g/mol. Its IUPAC name is 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine
PubChem CID12040787
Molecular FormulaC5H6ClFN4
Molecular Weight176.58 g/mol
Exact Mass176.03
IUPAC Name4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine
SMILESCC(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C5H6ClFN4/c1-2(7)3-9-4(6)11-5(8)10-3/h2H,1H3,(H2,8,9,10,11)
InChIKeyQUECAGJLBJWOLE-UHFFFAOYSA-N
XLogP1.14
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine (CID 12040787) is 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine is CC(F)c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is QUECAGJLBJWOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN4/c1-2(7)3-9-4(6)11-5(8)10-3/h2H,1H3,(H2,8,9,10,11).
What are the key properties of 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 176.58 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-fluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 12040787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).