1-(4-bromobutoxy)-4-fluoro-2-iodobenzene

C10H11BrFIO — CID 156504900

IUPAC1-(4-bromobutoxy)-4-fluoro-2-iodobenzene
SMILESFc1ccc(OCCCCBr)c(I)c1
InChIInChI=1S/C10H11BrFIO/c11-5-1-2-6-14-10-4-3-8(12)7-9(10)13/h3-4,7H,1-2,5-6H2
InChIKeyFEOLOCUPWJAVBV-UHFFFAOYSA-N
MW373.00 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene

1-(4-bromobutoxy)-4-fluoro-2-iodobenzene (PubChem CID 156504900) has the molecular formula C10H11BrFIO and a molecular weight of 373.00 g/mol. Its IUPAC name is 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene.

Molecular Properties

Compound Name1-(4-bromobutoxy)-4-fluoro-2-iodobenzene
PubChem CID156504900
Molecular FormulaC10H11BrFIO
Molecular Weight373.00 g/mol
Exact Mass371.90
IUPAC Name1-(4-bromobutoxy)-4-fluoro-2-iodobenzene
SMILESFc1ccc(OCCCCBr)c(I)c1
InChIInChI=1S/C10H11BrFIO/c11-5-1-2-6-14-10-4-3-8(12)7-9(10)13/h3-4,7H,1-2,5-6H2
InChIKeyFEOLOCUPWJAVBV-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.00
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene 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

CID 155601706
CID 155601706
1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene
CID 130444426
1,4-bis(3-bromopropoxy)-2,5-diiodobenzene
CID 66664651
5-fluoro-2-[3-(4-fluoro-2-iodophenoxy)propoxy]-1,3-dimethylbenzene
CID 154029735
4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene
CID 129132935
2-(4-bromobutoxy)-4-fluoro-1-nitrobenzene
CID 43165171
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338
4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene
CID 175686923
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
4-(9-bromononoxy)-3-fluorobenzonitrile
CID 107670352
1-(4-bromobutoxy)-2-fluorobenzene;1,4-dibromobutane;2-fluorophenol
CID 161283859
2-(3-bromopropyl)-1-[2-(3-bromopropyl)-4-fluorophenoxy]-4-fluorobenzene
CID 141129739

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene?
The IUPAC name of 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene (CID 156504900) is 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene.
What is the SMILES notation for 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene?
The canonical SMILES for 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene is Fc1ccc(OCCCCBr)c(I)c1.
What is the InChIKey of 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene?
The InChIKey is FEOLOCUPWJAVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFIO/c11-5-1-2-6-14-10-4-3-8(12)7-9(10)13/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene?
1-(4-bromobutoxy)-4-fluoro-2-iodobenzene has a molecular weight of 373.00 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutoxy)-4-fluoro-2-iodobenzene is sourced from PubChem (CID 156504900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).