1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene

C25H16BrF3O — CID 54361131

IUPAC1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
SMILESFc1cc(-c2ccc(-c3ccc(OCc4ccccc4)cc3F)cc2F)ccc1Br
InChIInChI=1S/C25H16BrF3O/c26-22-11-7-18(13-25(22)29)20-9-6-17(12-23(20)27)21-10-8-19(14-24(21)28)30-15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyUMOQHXDUFHISSK-UHFFFAOYSA-N
MW469.30 g/mol
LogP7.78
Rot. Bonds5

About 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene

1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene (PubChem CID 54361131) has the molecular formula C25H16BrF3O and a molecular weight of 469.30 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
PubChem CID54361131
Molecular FormulaC25H16BrF3O
Molecular Weight469.30 g/mol
Exact Mass468.03
IUPAC Name1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
SMILESFc1cc(-c2ccc(-c3ccc(OCc4ccccc4)cc3F)cc2F)ccc1Br
InChIInChI=1S/C25H16BrF3O/c26-22-11-7-18(13-25(22)29)20-9-6-17(12-23(20)27)21-10-8-19(14-24(21)28)30-15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyUMOQHXDUFHISSK-UHFFFAOYSA-N
XLogP7.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.30
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene
CID 170728358
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
CID 3743776
1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene
CID 170746175
[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650029
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 65201443
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
4-[(4-bromo-3-fluorophenoxy)methyl]benzamide
CID 63999852

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene?
The IUPAC name of 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene (CID 54361131) is 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene is Fc1cc(-c2ccc(-c3ccc(OCc4ccccc4)cc3F)cc2F)ccc1Br.
What is the InChIKey of 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene?
The InChIKey is UMOQHXDUFHISSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrF3O/c26-22-11-7-18(13-25(22)29)20-9-6-17(12-23(20)27)21-10-8-19(14-24(21)28)30-15-16-4-2-1-3-5-16/h1-14H,15H2.
What are the key properties of 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene?
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene has a molecular weight of 469.30 g/mol, XLogP of 7.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene is sourced from PubChem (CID 54361131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).