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Efinaconazole Impurity E

CAT: 1299-RM-E061405-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E061405-03Size:50 mg
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CAS Number
135267-12-8
Synonyms
2- ((R) -1- ((R) -2- (2,4-difluorophenyl) oxiran-2-yl) ethoxy) tetrahydro-2H-pyran
Molecular Formula
C15H18F2O3
Molecular Weight
284.3
Target Alternative Name
Efinaconazole
Product Name Synonym
2- ((R) -1- ((R) -2- (2,4-difluorophenyl) oxiran-2-yl) ethoxy) tetrahydro-2H-pyran

Chemical Information

2-[(1R)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane
CAS Number135267-12-8
PubChem CID11022419
IUPAC Name2-[(1R)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane
Molecular FormulaC15H18F2O3
Molecular Weight284.30
XLogP2.6
Topological Polar Surface Area31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity341
SMILES
C[C@H]([C@]1(CO1)C2=C(C=C(C=C2)F)F)OC3CCCCO3
InChI
InChI=1S/C15H18F2O3/c1-10(20-14-4-2-3-7-18-14)15(9-19-15)12-6-5-11(16)8-13(12)17/h5-6,8,10,14H,2-4,7,9H2,1H3/t10-,14?,15-/m1/s1
InChIKey
PWBIMUAZFIPFKO-GIFVDNBISA-N
Chemical Structure
2D Structure
2D structure of 2-[(1R)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane
CAS: 135267-12-8
CID: 11022419
Formula: C15H18F2O3
MW: 284.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.30
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass284.12240076
Monoisotopic Mass284.12240076
Topological Polar Surface Area31 Ų
Heavy Atom Count20
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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