6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine

C7H10ClF2N5 — CID 130561101

IUPAC6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Cl)c1nc(N)nc(NCC(F)F)n1
InChIInChI=1S/C7H10ClF2N5/c1-3(8)5-13-6(11)15-7(14-5)12-2-4(9)10/h3-4H,2H2,1H3,(H3,11,12,13,14,15)
InChIKeyFQRJKXWOEVUGIW-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.43
Rot. Bonds4

About 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine

6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 130561101) has the molecular formula C7H10ClF2N5 and a molecular weight of 237.64 g/mol. Its IUPAC name is 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID130561101
Molecular FormulaC7H10ClF2N5
Molecular Weight237.64 g/mol
Exact Mass237.06
IUPAC Name6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Cl)c1nc(N)nc(NCC(F)F)n1
InChIInChI=1S/C7H10ClF2N5/c1-3(8)5-13-6(11)15-7(14-5)12-2-4(9)10/h3-4H,2H2,1H3,(H3,11,12,13,14,15)
InChIKeyFQRJKXWOEVUGIW-UHFFFAOYSA-N
XLogP1.43
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine (CID 130561101) is 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine is CC(Cl)c1nc(N)nc(NCC(F)F)n1.
What is the InChIKey of 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FQRJKXWOEVUGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2N5/c1-3(8)5-13-6(11)15-7(14-5)12-2-4(9)10/h3-4H,2H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine?
6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 237.64 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130561101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).