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4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol

4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol

CAS: 1187930-88-6

Formula: C8H8F3NO

SMILES: N[C@@H](C1=CC=C(O)C=C1)C(F)(F)F

IUPAC: 4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol

InChI: InChI=1S/C8H8F3NO/c9-8(10,11)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2/t7-/m0/s1

Composition: C (50.27%), H (4.22%), F (29.82%), N (7.33%), O (8.37%)

Molar Mass: 191.153

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 191.055798371
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XIBJQYMKBQZQPP-ZETCQYMHSA-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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