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1341576-78-0 | N-[3-(Trifluoromethyl)benzyl]oxetan-3-amine
CAS No: 1341576-78-0 Catalog No: AG01FAX4 MDL No:
Product Description
Catalog Number:
AG01FAX4
Chemical Name:
N-[3-(Trifluoromethyl)benzyl]oxetan-3-amine
CAS Number:
1341576-78-0
Molecular Formula:
C11H12F3NO
Molecular Weight:
231.2143
IUPAC Name:
N-[[3-(trifluoromethyl)phenyl]methyl]oxetan-3-amine
InChI:
InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-8(4-9)5-15-10-6-16-7-10/h1-4,10,15H,5-7H2
InChI Key:
HTWHDWQYMWLUND-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)CNC1COC1)(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
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