Home Nitriles 2-(2,2,3,3-tetrafluoropropoxy)acetonitrile

2-(2,2,3,3-tetrafluoropropoxy)acetonitrile

CAS No.:
1039916-10-3
Catalog Number:
AG01BDIM
Molecular Formula:
C5H5F4NO
Molecular Weight:
171.0929
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Product Description
Catalog Number:
AG01BDIM
Chemical Name:
2-(2,2,3,3-tetrafluoropropoxy)acetonitrile
CAS Number:
1039916-10-3
Molecular Formula:
C5H5F4NO
Molecular Weight:
171.0929
MDL Number:
MFCD11197534
IUPAC Name:
2-(2,2,3,3-tetrafluoropropoxy)acetonitrile
InChI:
InChI=1S/C5H5F4NO/c6-4(7)5(8,9)3-11-2-1-10/h4H,2-3H2
InChI Key:
MKJJYFFFKSGMIE-UHFFFAOYSA-N
SMILES:
FC(C(COCC#N)(F)F)F
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.095g/mol
Monoisotopic Mass:
171.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties