4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine

C9H9ClF6N4O — CID 102723608

IUPAC4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H9ClF6N4O/c1-2-3-17-6-18-5(10)19-7(20-6)21-4(8(11,12)13)9(14,15)16/h4H,2-3H2,1H3,(H,17,18,19,20)
InChIKeyYQOSNEUPEPSFMH-UHFFFAOYSA-N
MW338.64 g/mol
LogP3.22
Rot. Bonds5

About 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 102723608) has the molecular formula C9H9ClF6N4O and a molecular weight of 338.64 g/mol. Its IUPAC name is 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
PubChem CID102723608
Molecular FormulaC9H9ClF6N4O
Molecular Weight338.64 g/mol
Exact Mass338.04
IUPAC Name4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H9ClF6N4O/c1-2-3-17-6-18-5(10)19-7(20-6)21-4(8(11,12)13)9(14,15)16/h4H,2-3H2,1H3,(H,17,18,19,20)
InChIKeyYQOSNEUPEPSFMH-UHFFFAOYSA-N
XLogP3.22
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine (CID 102723608) is 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is YQOSNEUPEPSFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF6N4O/c1-2-3-17-6-18-5(10)19-7(20-6)21-4(8(11,12)13)9(14,15)16/h4H,2-3H2,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 338.64 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 102723608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).