Basic information
- CAS
438236-71-6- Standard SMILES
O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1N=C(C(F)F)CC1(O)C(F)F- InChIKey
RDQIOVYSZWAQHL-UHFFFAOYSA-N- Molecular formula
- C17H13ClF4N2O4
- Average molar mass
- 420.7 g/mol
Names & identifiers
- Preferred name
- [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[5-[(4-chlorophenoxy)methyl]furan-2-yl]methanone
- IUPAC
- [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[5-[(4-chlorophenoxy)methyl]furan-2-yl]methanone
- English name
- 1-{5-[(4-chlorophenoxy)methyl]-2-furoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- Molecular formula
- C17H13ClF4N2O4
- Molecular weight
- 420.7427328
Names & synonyms
MLS0007004351-{5-[(4-chlorophenoxy)methyl]-2-furoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[5-[(4-chlorophenoxy)methyl]furan-2-yl]methanoneSMR000228169AK-968/41923785CHEMBL1587373BDBM45269cid_4548073HMS2563I08STL176138AKOS003791594[3,5-bis(difluoromethyl)-5-hydroxy-2-pyrazolin-1-yl]-[5-[(4-chlorophenoxy)methyl]-2-furyl]methanone
Show more names
[3,5-BIS(DIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]{5-[(4-CHLOROPHENOXY)METHYL]-2-FURYL}METHANONE[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{5-[(4-chlorophenoxy)methyl]furan-2-yl}methanone[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[5-[(4-chlorophenoxy)methyl]-2-furanyl]methanone[3,5-bis[bis(fluoranyl)methyl]-5-oxidanyl-4H-pyrazol-1-yl]-[5-[(4-chloranylphenoxy)methyl]furan-2-yl]methanone438236-71-6
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 604
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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