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2,2-Difluoro-2-phenylethanamine

CAT: 0127-PC510155Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
55601-21-3
MDL Number
MFCD11100799
Purity
=95%
Smiles
NCC(F)(F)c1ccccc1

Chemical Information

2,2-Difluoro-2-phenylethylamine
CAS Number55601-21-3
PubChem CID12635529
IUPAC Name2,2-difluoro-2-phenylethanamine
Molecular FormulaC8H9F2N
Molecular Weight157.16
XLogP1.6
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
C1=CC=C(C=C1)C(CN)(F)F
InChI
InChI=1S/C8H9F2N/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H,6,11H2
InChIKey
FZUZAXBAUSXGAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Difluoro-2-phenylethylamine
CAS: 55601-21-3
CID: 12635529
Formula: C8H9F2N
MW: 157.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.16
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass157.07030562
Monoisotopic Mass157.07030562
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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