2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine

C7H6ClF4N3O2 — CID 55124637

IUPAC2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H6ClF4N3O2/c1-16-5-13-4(8)14-6(15-5)17-2-7(11,12)3(9)10/h3H,2H2,1H3
InChIKeyJNQIBMXSZDQZFR-UHFFFAOYSA-N
MW275.59 g/mol
LogP1.81
Rot. Bonds5

About 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine

2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine (PubChem CID 55124637) has the molecular formula C7H6ClF4N3O2 and a molecular weight of 275.59 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
PubChem CID55124637
Molecular FormulaC7H6ClF4N3O2
Molecular Weight275.59 g/mol
Exact Mass275.01
IUPAC Name2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H6ClF4N3O2/c1-16-5-13-4(8)14-6(15-5)17-2-7(11,12)3(9)10/h3H,2H2,1H3
InChIKeyJNQIBMXSZDQZFR-UHFFFAOYSA-N
XLogP1.81
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.59
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
2,4,6-Tris(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 3091708
2,4-Dichloro-6-propoxy-1,3,5-triazine
CID 33570
2-Chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 53342808
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
CID 12586979
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
2-Amino-4-ethoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010395
4-[Chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine
CID 15010396
2,4-Difluoro-6-propan-2-yloxy-1,3,5-triazine
CID 20034770
2,4-Difluoro-6-(2-methoxyethoxy)-1,3,5-triazine
CID 20265325

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine (CID 55124637) is 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine is COc1nc(Cl)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The InChIKey is JNQIBMXSZDQZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF4N3O2/c1-16-5-13-4(8)14-6(15-5)17-2-7(11,12)3(9)10/h3H,2H2,1H3.
What are the key properties of 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine has a molecular weight of 275.59 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 55124637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).