Home Other Building Blocks 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane, trifluoroacetic acid

7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane, trifluoroacetic acid

CAS No.:
1955523-08-6
Catalog Number:
AG01AUFJ
Molecular Formula:
C7H8F5NO3
Molecular Weight:
249.1353
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Product Description
Catalog Number:
AG01AUFJ
Chemical Name:
7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane, trifluoroacetic acid
CAS Number:
1955523-08-6
Molecular Formula:
C7H8F5NO3
Molecular Weight:
249.1353
MDL Number:
MFCD29034870
IUPAC Name:
7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H7F2NO.C2HF3O2/c6-5(7)3-4(5)9-2-1-8-3;3-2(4,5)1(6)7/h3-4,8H,1-2H2;(H,6,7)
InChI Key:
UQHJTBLXOSLJSM-UHFFFAOYSA-N
SMILES:
FC1(F)C2C1NCCO2.OC(=O)C(F)(F)F
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.042g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.137g/mol
Monoisotopic Mass:
249.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties