7-bromo-5-fluoro-3-pentyl-1-benzofuran

C13H14BrFO — CID 22144746

IUPAC7-bromo-5-fluoro-3-pentyl-1-benzofuran
SMILESCCCCCc1coc2c(Br)cc(F)cc12
InChIInChI=1S/C13H14BrFO/c1-2-3-4-5-9-8-16-13-11(9)6-10(15)7-12(13)14/h6-8H,2-5H2,1H3
InChIKeyBLIBOSIDALGXPR-UHFFFAOYSA-N
MW285.16 g/mol
LogP5.07
Rot. Bonds4

About 7-bromo-5-fluoro-3-pentyl-1-benzofuran

7-bromo-5-fluoro-3-pentyl-1-benzofuran (PubChem CID 22144746) has the molecular formula C13H14BrFO and a molecular weight of 285.16 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3-pentyl-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-fluoro-3-pentyl-1-benzofuran
PubChem CID22144746
Molecular FormulaC13H14BrFO
Molecular Weight285.16 g/mol
Exact Mass284.02
IUPAC Name7-bromo-5-fluoro-3-pentyl-1-benzofuran
SMILESCCCCCc1coc2c(Br)cc(F)cc12
InChIInChI=1S/C13H14BrFO/c1-2-3-4-5-9-8-16-13-11(9)6-10(15)7-12(13)14/h6-8H,2-5H2,1H3
InChIKeyBLIBOSIDALGXPR-UHFFFAOYSA-N
XLogP5.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.16
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-bromo-5-fluoro-3-pentyl-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-5-fluoro-3-octyl-1H-indole
CID 106984996
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
2,3,6,7,9,10-hexaheptylanthracene
CID 14089080
1,2,3-tribromo-4-tetradecylbenzene
CID 22756067
2,4-difluoro-1-pentylbenzene
CID 20770613
1,2,3-tribromo-4-undecylbenzene
CID 22756063
8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde
CID 30034673
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
CID 58411511
2-bromo-5-fluoro-1,3-dipropylbenzene
CID 137443449
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
2,6-dibromo-4-fluoro-N-pentylaniline
CID 69428325

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-3-pentyl-1-benzofuran?
The IUPAC name of 7-bromo-5-fluoro-3-pentyl-1-benzofuran (CID 22144746) is 7-bromo-5-fluoro-3-pentyl-1-benzofuran.
What is the SMILES notation for 7-bromo-5-fluoro-3-pentyl-1-benzofuran?
The canonical SMILES for 7-bromo-5-fluoro-3-pentyl-1-benzofuran is CCCCCc1coc2c(Br)cc(F)cc12.
What is the InChIKey of 7-bromo-5-fluoro-3-pentyl-1-benzofuran?
The InChIKey is BLIBOSIDALGXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFO/c1-2-3-4-5-9-8-16-13-11(9)6-10(15)7-12(13)14/h6-8H,2-5H2,1H3.
What are the key properties of 7-bromo-5-fluoro-3-pentyl-1-benzofuran?
7-bromo-5-fluoro-3-pentyl-1-benzofuran has a molecular weight of 285.16 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-3-pentyl-1-benzofuran is sourced from PubChem (CID 22144746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).