4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene

C20H22Br2F2O — CID 164578261

IUPAC4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CCCCOCCCCc1ccc(Br)cc1F
InChIInChI=1S/C20H22Br2F2O/c21-17-9-7-15(19(23)13-17)5-1-3-11-25-12-4-2-6-16-8-10-18(22)14-20(16)24/h7-10,13-14H,1-6,11-12H2
InChIKeyCFCXBTJFRBOYSF-UHFFFAOYSA-N
MW476.20 g/mol
LogP6.85
Rot. Bonds10

About 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene

4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene (PubChem CID 164578261) has the molecular formula C20H22Br2F2O and a molecular weight of 476.20 g/mol. Its IUPAC name is 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene
PubChem CID164578261
Molecular FormulaC20H22Br2F2O
Molecular Weight476.20 g/mol
Exact Mass474.00
IUPAC Name4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CCCCOCCCCc1ccc(Br)cc1F
InChIInChI=1S/C20H22Br2F2O/c21-17-9-7-15(19(23)13-17)5-1-3-11-25-12-4-2-6-16-8-10-18(22)14-20(16)24/h7-10,13-14H,1-6,11-12H2
InChIKeyCFCXBTJFRBOYSF-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.20
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 62344228
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4-bromo-2-fluoro-1-prop-2-enylbenzene
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4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
2-[3-(4-bromo-2-fluorophenyl)propyl]-1-(4-ethoxybutyl)-3-ethylguanidine
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N-[(4-bromo-2-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 43242817
2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane
CID 68574881
4-bromo-1-(4-bromoheptyl)-2-fluorobenzene
CID 64508963
6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol
CID 64515603
CID 88874839
CID 88874839
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384
1-[3-(4-bromo-2-fluorophenyl)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111604122

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene (CID 164578261) is 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene is Fc1cc(Br)ccc1CCCCOCCCCc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene?
The InChIKey is CFCXBTJFRBOYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2F2O/c21-17-9-7-15(19(23)13-17)5-1-3-11-25-12-4-2-6-16-8-10-18(22)14-20(16)24/h7-10,13-14H,1-6,11-12H2.
What are the key properties of 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene?
4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene has a molecular weight of 476.20 g/mol, XLogP of 6.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene is sourced from PubChem (CID 164578261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).