4-bromo-2-fluoro-1-pentoxybenzene

C11H14BrFO — CID 22717520

IUPAC4-bromo-2-fluoro-1-pentoxybenzene
SMILESCCCCCOc1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFO/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h5-6,8H,2-4,7H2,1H3
InChIKeyFCYFSULPHRADAI-UHFFFAOYSA-N
MW261.13 g/mol
LogP4.16
Rot. Bonds5

About 4-bromo-2-fluoro-1-pentoxybenzene

4-bromo-2-fluoro-1-pentoxybenzene (PubChem CID 22717520) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-pentoxybenzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-pentoxybenzene
PubChem CID22717520
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name4-bromo-2-fluoro-1-pentoxybenzene
SMILESCCCCCOc1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFO/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h5-6,8H,2-4,7H2,1H3
InChIKeyFCYFSULPHRADAI-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-pentoxybenzene?
The IUPAC name of 4-bromo-2-fluoro-1-pentoxybenzene (CID 22717520) is 4-bromo-2-fluoro-1-pentoxybenzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-pentoxybenzene?
The canonical SMILES for 4-bromo-2-fluoro-1-pentoxybenzene is CCCCCOc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-pentoxybenzene?
The InChIKey is FCYFSULPHRADAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-bromo-2-fluoro-1-pentoxybenzene?
4-bromo-2-fluoro-1-pentoxybenzene has a molecular weight of 261.13 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-pentoxybenzene is sourced from PubChem (CID 22717520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).