Home Other Building Blocks N-{[2-(trifluoromethyl)phenyl]methyl}oxetan-3-amine

N-{[2-(trifluoromethyl)phenyl]methyl}oxetan-3-amine

CAS No.:
1339894-12-0
Catalog Number:
AG01ACDD
Molecular Formula:
C11H12F3NO
Molecular Weight:
231.2143
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Product Description
Catalog Number:
AG01ACDD
Chemical Name:
N-{[2-(trifluoromethyl)phenyl]methyl}oxetan-3-amine
CAS Number:
1339894-12-0
Molecular Formula:
C11H12F3NO
Molecular Weight:
231.2143
MDL Number:
MFCD18849565
IUPAC Name:
N-[[2-(trifluoromethyl)phenyl]methyl]oxetan-3-amine
InChI:
InChI=1S/C11H12F3NO/c12-11(13,14)10-4-2-1-3-8(10)5-15-9-6-16-7-9/h1-4,9,15H,5-7H2
InChI Key:
DKWOYLYIZXJBEM-UHFFFAOYSA-N
SMILES:
FC(c1ccccc1CNC1COC1)(F)F
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.218g/mol
Monoisotopic Mass:
231.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties