2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine

C4H2ClF2N3O — CID 151848599

IUPAC2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine
SMILESFc1nc(F)nc(OCCl)n1
InChIInChI=1S/C4H2ClF2N3O/c5-1-11-4-9-2(6)8-3(7)10-4/h1H2
InChIKeySIEQPWRZLFIHNI-UHFFFAOYSA-N
MW181.53 g/mol
LogP0.72
Rot. Bonds2

About 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine

2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine (PubChem CID 151848599) has the molecular formula C4H2ClF2N3O and a molecular weight of 181.53 g/mol. Its IUPAC name is 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine.

Molecular Properties

Compound Name2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine
PubChem CID151848599
Molecular FormulaC4H2ClF2N3O
Molecular Weight181.53 g/mol
Exact Mass180.99
IUPAC Name2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine
SMILESFc1nc(F)nc(OCCl)n1
InChIInChI=1S/C4H2ClF2N3O/c5-1-11-4-9-2(6)8-3(7)10-4/h1H2
InChIKeySIEQPWRZLFIHNI-UHFFFAOYSA-N
XLogP0.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.53
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-6-(trifluoromethoxy)-1,3,5-triazine
CID 10966416
2,4-Difluoro-6-methoxy-1,3,5-triazine
CID 15010385
2-[Chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine
CID 10921951
2,4-Difluoro-6-(trichloromethoxy)-1,3,5-triazine
CID 15010386
2-Chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine
CID 19104356
2,4-Dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104361
2-Chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine
CID 151613351
2-[Dichloro(fluoro)methoxy]-4,6-difluoro-1,3,5-triazine
CID 85634644
2,4-Dichloro-6-(difluoromethoxy)-1,3,5-triazine
CID 133057461
2,4-Dichloro-6-(chloromethoxy)-1,3,5-triazine
CID 19104339
CID 162461227
CID 162461227
2-Chloro-4,6-bis(chloromethoxy)-1,3,5-triazine
CID 119093903

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine?
The IUPAC name of 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine (CID 151848599) is 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine.
What is the SMILES notation for 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine?
The canonical SMILES for 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine is Fc1nc(F)nc(OCCl)n1.
What is the InChIKey of 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine?
The InChIKey is SIEQPWRZLFIHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF2N3O/c5-1-11-4-9-2(6)8-3(7)10-4/h1H2.
What are the key properties of 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine?
2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine has a molecular weight of 181.53 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-4,6-difluoro-1,3,5-triazine is sourced from PubChem (CID 151848599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).