Home Other Building Blocks 2,2,2-trifluoroethyl N-(furan-2-ylmethyl)carbamate

2,2,2-trifluoroethyl N-(furan-2-ylmethyl)carbamate

CAS No.:
875157-18-9
Catalog Number:
AG019OV4
Molecular Formula:
C8H8F3NO3
Molecular Weight:
223.1492
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019OV4
Chemical Name:
2,2,2-trifluoroethyl N-(furan-2-ylmethyl)carbamate
CAS Number:
875157-18-9
Molecular Formula:
C8H8F3NO3
Molecular Weight:
223.1492
MDL Number:
MFCD07838322
IUPAC Name:
2,2,2-trifluoroethyl N-(furan-2-ylmethyl)carbamate
InChI:
InChI=1S/C8H8F3NO3/c9-8(10,11)5-15-7(13)12-4-6-2-1-3-14-6/h1-3H,4-5H2,(H,12,13)
InChI Key:
WWQYNASZDIQLEL-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccco1)OCC(F)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.151g/mol
Monoisotopic Mass:
223.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties