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

C4H4ClFN4 — CID 71758383

IUPAC4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CF)n1
InChIInChI=1S/C4H4ClFN4/c5-3-8-2(1-6)9-4(7)10-3/h1H2,(H2,7,8,9,10)
InChIKeyNNAMFUWQCOOYHY-UHFFFAOYSA-N
MW162.56 g/mol
LogP0.58
Rot. Bonds1

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

4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 71758383) has the molecular formula C4H4ClFN4 and a molecular weight of 162.56 g/mol. Its IUPAC name is 4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine
PubChem CID71758383
Molecular FormulaC4H4ClFN4
Molecular Weight162.56 g/mol
Exact Mass162.01
IUPAC Name4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CF)n1
InChIInChI=1S/C4H4ClFN4/c5-3-8-2(1-6)9-4(7)10-3/h1H2,(H2,7,8,9,10)
InChIKeyNNAMFUWQCOOYHY-UHFFFAOYSA-N
XLogP0.58
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.56
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine (CID 71758383) is 4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(CF)n1.
What is the InChIKey of 4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is NNAMFUWQCOOYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFN4/c5-3-8-2(1-6)9-4(7)10-3/h1H2,(H2,7,8,9,10).
What are the key properties of 4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 162.56 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71758383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).