1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene

C15H13Br2FO — CID 13354005

IUPAC1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene
SMILESFc1ccc(C(OCCBr)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13Br2FO/c16-9-10-19-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2
InChIKeyWWDQGVYTSRMGGU-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.09
Rot. Bonds5

About 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene

1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene (PubChem CID 13354005) has the molecular formula C15H13Br2FO and a molecular weight of 388.07 g/mol. Its IUPAC name is 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene
PubChem CID13354005
Molecular FormulaC15H13Br2FO
Molecular Weight388.07 g/mol
Exact Mass385.93
IUPAC Name1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene
SMILESFc1ccc(C(OCCBr)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13Br2FO/c16-9-10-19-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2
InChIKeyWWDQGVYTSRMGGU-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

p-Bromobenzhydryl alcohol
CID 98221
2-(4-Bromophenyl)oxirane
CID 119460
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296
2-(4-Bromophenyl)oxolane
CID 14653181
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
2-(4-Bromophenyl)-2-methyloxirane
CID 150702
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
(r)-(4-Bromophenyl)(phenyl)methanol
CID 778573
(R)-4-Bromostyrene oxide
CID 11217859

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene (CID 13354005) is 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene is Fc1ccc(C(OCCBr)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene?
The InChIKey is WWDQGVYTSRMGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO/c16-9-10-19-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2.
What are the key properties of 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene?
1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene has a molecular weight of 388.07 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene is sourced from PubChem (CID 13354005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).