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4-(1-amino-2,2,2-trifluoroethyl)phenol hydrochloride

4-(1-amino-2,2,2-trifluoroethyl)phenol hydrochloride

CAS: 2703756-58-3

Formula: C8H9ClF3NO

SMILES: Cl.NC(C1=CC=C(O)C=C1)C(F)(F)F

IUPAC: 4-(1-amino-2,2,2-trifluoroethyl)phenol hydrochloride

InChI: InChI=1/C8H8F3NO.ClH/c9-8(10,11)7(12)5-1-3-6(13)4-2-5;/h1-4,7,13H,12H2;1H

Composition: C (42.22%), H (3.99%), Cl (15.57%), F (25.04%), N (6.15%), O (7.03%)

Molar Mass: 227.61

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 227.0324761
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey JDMQNFSWVGXQKQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.63
Topological Polar Surface Area 46.25
Polarizability 15.51
Ring Count 1
Rotatable Bond Count 2

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