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2-[2- (Trifluoromethyl) phenyl]morpholine

CAT: 0926-UTB64972-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-UTB64972-01Size:50 mg
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CAS Number
1094649-72-5
MDL Number
MFCD11646231
Smiles
C1COC (CN1) C2=CC=CC=C2C (F) (F) F
Molecular Formula
C11H12F3NO
Molecular Weight
231.21 g/mol
Controlled
No

Chemical Information

2-[2-(Trifluoromethyl)phenyl]morpholine
CAS Number1094649-72-5
PubChem CID17767061
IUPAC Name2-[2-(trifluoromethyl)phenyl]morpholine
Molecular FormulaC11H12F3NO
Molecular Weight231.21
XLogP2
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity232
SMILES
C1COC(CN1)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)9-4-2-1-3-8(9)10-7-15-5-6-16-10/h1-4,10,15H,5-7H2
InChIKey
SZXNAYXZJDWGIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-(Trifluoromethyl)phenyl]morpholine
CAS: 1094649-72-5
CID: 17767061
Formula: C11H12F3NO
MW: 231.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight231.21
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass231.08709849
Monoisotopic Mass231.08709849
Topological Polar Surface Area21.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity232
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes