4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C10H14ClF3N4O — CID 62864485

IUPAC4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(CC)CC(F)(F)F)n1
InChIInChI=1S/C10H14ClF3N4O/c1-3-5-19-9-16-7(11)15-8(17-9)18(4-2)6-10(12,13)14/h3-6H2,1-2H3
InChIKeyXBNWJBIOXFXQRR-UHFFFAOYSA-N
MW298.70 g/mol
LogP2.70
Rot. Bonds6

About 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62864485) has the molecular formula C10H14ClF3N4O and a molecular weight of 298.70 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62864485
Molecular FormulaC10H14ClF3N4O
Molecular Weight298.70 g/mol
Exact Mass298.08
IUPAC Name4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(CC)CC(F)(F)F)n1
InChIInChI=1S/C10H14ClF3N4O/c1-3-5-19-9-16-7(11)15-8(17-9)18(4-2)6-10(12,13)14/h3-6H2,1-2H3
InChIKeyXBNWJBIOXFXQRR-UHFFFAOYSA-N
XLogP2.70
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62864485) is 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(N(CC)CC(F)(F)F)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is XBNWJBIOXFXQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N4O/c1-3-5-19-9-16-7(11)15-8(17-9)18(4-2)6-10(12,13)14/h3-6H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 298.70 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).