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Home > Fluorides > 863679-53-2
863679-53-2 | 3-Azabicyclo[3.1.0]hexane, 1-[2-fluoro-4-(trifluoromethyl)phenyl]-
CAS No: 863679-53-2 Catalog No: AG004IR4 MDL No:
Product Description
Catalog Number:
AG004IR4
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 1-[2-fluoro-4-(trifluoromethyl)phenyl]-
CAS Number:
863679-53-2
Molecular Formula:
C12H11F4N
Molecular Weight:
245.2161
IUPAC Name:
1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C12H11F4N/c13-10-3-7(12(14,15)16)1-2-9(10)11-4-8(11)5-17-6-11/h1-3,8,17H,4-6H2
InChI Key:
ZCHPFSLSIJTHFX-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1C12CNCC2C1)C(F)(F)F
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.221g/mol
Monoisotopic Mass:
245.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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