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(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethanamine hydrochloride

(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethanamine hydrochloride

CAS: 2569698-42-4

Formula: C9H11ClF3N

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

IUPAC: (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethan-1-amine hydrochloride

InChI: InChI=1S/C9H10F3N.ClH/c1-5(13)6-3-2-4-7(8(6)10)9(11)12;/h2-5,9H,13H2,1H3;1H/t5-;/m1./s1

Composition: C (47.91%), H (4.91%), Cl (15.71%), F (25.26%), N (6.21%)

Molar Mass: 225.64

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 225.0532115
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey LMVWLMYIWIMIAX-NUBCRITNSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.25
Topological Polar Surface Area 26.02
Polarizability 16.56
Ring Count 1
Rotatable Bond Count 2

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