(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol

(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol

CAS: 153181-07-8

Formula: C10H12F3NO

SMILES: N[C@H](CO)CC1=CC=C(C=C1)C(F)(F)F

IUPAC: (2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol

InChI: InChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-7(2-4-8)5-9(14)6-15/h1-4,9,15H,5-6,14H2/t9-/m0/s1

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	UKNGRZBFRVEPGN-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.22
Topological Polar Surface Area	46.25
Polarizability	19.04
Ring Count	1
Rotatable Bond Count	4

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