6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine

C6H8ClF2N5O — CID 150140435

IUPAC6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(OC(F)F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H8ClF2N5O/c1-2-14(15-4(8)9)6-12-3(7)11-5(10)13-6/h4H,2H2,1H3,(H2,10,11,12,13)
InChIKeyFDEAPBVGEQDLNZ-UHFFFAOYSA-N
MW239.61 g/mol
LogP1.09
Rot. Bonds4

About 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 150140435) has the molecular formula C6H8ClF2N5O and a molecular weight of 239.61 g/mol. Its IUPAC name is 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID150140435
Molecular FormulaC6H8ClF2N5O
Molecular Weight239.61 g/mol
Exact Mass239.04
IUPAC Name6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(OC(F)F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H8ClF2N5O/c1-2-14(15-4(8)9)6-12-3(7)11-5(10)13-6/h4H,2H2,1H3,(H2,10,11,12,13)
InChIKeyFDEAPBVGEQDLNZ-UHFFFAOYSA-N
XLogP1.09
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.61
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine (CID 150140435) is 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine is CCN(OC(F)F)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FDEAPBVGEQDLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF2N5O/c1-2-14(15-4(8)9)6-12-3(7)11-5(10)13-6/h4H,2H2,1H3,(H2,10,11,12,13).
What are the key properties of 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 239.61 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 150140435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).