2-bromo-1-fluoro-4-undecylbenzene

C17H26BrF — CID 10958447

IUPAC2-bromo-1-fluoro-4-undecylbenzene
SMILESCCCCCCCCCCCc1ccc(F)c(Br)c1
InChIInChI=1S/C17H26BrF/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-17(19)16(18)14-15/h12-14H,2-11H2,1H3
InChIKeyRHDWBZVGLYJBRA-UHFFFAOYSA-N
MW329.30 g/mol
LogP6.66
Rot. Bonds10

About 2-bromo-1-fluoro-4-undecylbenzene

2-bromo-1-fluoro-4-undecylbenzene (PubChem CID 10958447) has the molecular formula C17H26BrF and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-undecylbenzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-undecylbenzene
PubChem CID10958447
Molecular FormulaC17H26BrF
Molecular Weight329.30 g/mol
Exact Mass328.12
IUPAC Name2-bromo-1-fluoro-4-undecylbenzene
SMILESCCCCCCCCCCCc1ccc(F)c(Br)c1
InChIInChI=1S/C17H26BrF/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-17(19)16(18)14-15/h12-14H,2-11H2,1H3
InChIKeyRHDWBZVGLYJBRA-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.30
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 155293840
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CID 64506679
3-(3-bromo-4-fluorophenyl)propane-1-thiol
CID 146910574
2-bromo-1-fluoro-4-methylbenzene;ethane;nonane
CID 143643780
2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
CID 134887709
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
2-fluoro-4-pentylaniline
CID 146198864
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482
9,10-dibromo-2,6-didecylanthracene
CID 141357715
1-bromo-4-dodecylbenzene
CID 15120506

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-undecylbenzene?
The IUPAC name of 2-bromo-1-fluoro-4-undecylbenzene (CID 10958447) is 2-bromo-1-fluoro-4-undecylbenzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-undecylbenzene?
The canonical SMILES for 2-bromo-1-fluoro-4-undecylbenzene is CCCCCCCCCCCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1-fluoro-4-undecylbenzene?
The InChIKey is RHDWBZVGLYJBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrF/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-17(19)16(18)14-15/h12-14H,2-11H2,1H3.
What are the key properties of 2-bromo-1-fluoro-4-undecylbenzene?
2-bromo-1-fluoro-4-undecylbenzene has a molecular weight of 329.30 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-undecylbenzene is sourced from PubChem (CID 10958447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).