3-(4-chloro-3-fluorophenyl)propan-1-amine

3-(4-chloro-3-fluorophenyl)propan-1-amine

CAS: 465529-47-9

Formula: C9H11ClFN

SMILES: NCCCC1=CC=C(Cl)C(F)=C1

IUPAC: 3-(4-chloro-3-fluorophenyl)propan-1-amine

InChI: InChI=1S/C9H11ClFN/c10-8-4-3-7(2-1-5-12)6-9(8)11/h3-4,6H,1-2,5,12H2

Composition: C (57.61%), H (5.91%), Cl (18.89%), F (10.12%), N (7.46%)

Molar Mass: 187.64

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.0564052
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	QUYJFZKEIRCGGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.91
Topological Polar Surface Area	26.02
Polarizability	18.86
Ring Count	1
Rotatable Bond Count	3

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