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3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol

3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol

CAS: 683221-00-3

Formula: C10H12F3NO

SMILES: NC(CCO)C1=CC=CC(=C1)C(F)(F)F

IUPAC: 3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol

InChI: InChI=1/C10H12F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-15/h1-3,6,9,15H,4-5,14H2

Composition: C (54.79%), H (5.52%), F (26.00%), N (6.39%), O (7.30%)

Molar Mass: 219.207

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 219.087098499
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey AITWXNLDCLFQPJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.33
Topological Polar Surface Area 46.25
Polarizability 19.11
Ring Count 1
Rotatable Bond Count 4

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