4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine

C7H8Cl2F2N4 — CID 130632546

IUPAC4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(CC(F)F)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H8Cl2F2N4/c1-3(2-4(10)11)12-7-14-5(8)13-6(9)15-7/h3-4H,2H2,1H3,(H,12,13,14,15)
InChIKeyPHXHDPRTMNGHSK-UHFFFAOYSA-N
MW257.07 g/mol
LogP2.63
Rot. Bonds4

About 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 130632546) has the molecular formula C7H8Cl2F2N4 and a molecular weight of 257.07 g/mol. Its IUPAC name is 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine
PubChem CID130632546
Molecular FormulaC7H8Cl2F2N4
Molecular Weight257.07 g/mol
Exact Mass256.01
IUPAC Name4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(CC(F)F)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H8Cl2F2N4/c1-3(2-4(10)11)12-7-14-5(8)13-6(9)15-7/h3-4H,2H2,1H3,(H,12,13,14,15)
InChIKeyPHXHDPRTMNGHSK-UHFFFAOYSA-N
XLogP2.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine (CID 130632546) is 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine is CC(CC(F)F)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is PHXHDPRTMNGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2F2N4/c1-3(2-4(10)11)12-7-14-5(8)13-6(9)15-7/h3-4H,2H2,1H3,(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 257.07 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4,4-difluorobutan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 130632546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).