Name: [3-[(4-fluorophenyl)methyl]pyrrol-1-yl]methyl 3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropane-1-carboxylate

SMILES: CC1(C(C1C(=O)OCN2C=CC(=C2)CC3=CC=C(C=C3)F)C(C(Cl)(Cl)Br)Br)C

Molecular Processing

Molecular formula

C20H20Br2Cl2FNO2

Molecular weight

556.1

Exact mass

552.9222

XLogP

6.28

TPSA

31.23

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.45

Molar refractivity

116.57

Supplementary Information

InChIKey: FMPGXNBSNIVFJD-UHFFFAOYSA-N

Synonyme

SCHEMBL11489168FMPGXNBSNIVFJD-UHFFFAOYSA-N[3-(4-fluorobenzyl)-1-pyrrolyl]methyl 3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropanecarboxylate