1-bromo-2-(3,3,3-trifluoropropyl)benzene

1-bromo-2-(3,3,3-trifluoropropyl)benzene

CAS: 1099597-58-6

Formula: C9H8BrF3

SMILES: FC(F)(F)CCC1=C(Br)C=CC=C1

IUPAC: 1-bromo-2-(3,3,3-trifluoropropyl)benzene

InChI: InChI=1S/C9H8BrF3/c10-8-4-2-1-3-7(8)5-6-9(11,12)13/h1-4H,5-6H2

Composition: C (42.72%), H (3.19%), Br (31.57%), F (22.52%)

Molar Mass: 253.062

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.976148
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	LSGCAWKFSPJMRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.71
Topological Polar Surface Area	0
Polarizability	18.12
Ring Count	1
Rotatable Bond Count	3

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