4-(4-bromobutoxy)-2-chloro-1-fluorobenzene

C10H11BrClFO — CID 19369445

IUPAC4-(4-bromobutoxy)-2-chloro-1-fluorobenzene
SMILESFc1ccc(OCCCCBr)cc1Cl
InChIInChI=1S/C10H11BrClFO/c11-5-1-2-6-14-8-3-4-10(13)9(12)7-8/h3-4,7H,1-2,5-6H2
InChIKeyOQWMGRNPVPKJGC-UHFFFAOYSA-N
MW281.55 g/mol
LogP4.03
Rot. Bonds5

About 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene

4-(4-bromobutoxy)-2-chloro-1-fluorobenzene (PubChem CID 19369445) has the molecular formula C10H11BrClFO and a molecular weight of 281.55 g/mol. Its IUPAC name is 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene.

Molecular Properties

Compound Name4-(4-bromobutoxy)-2-chloro-1-fluorobenzene
PubChem CID19369445
Molecular FormulaC10H11BrClFO
Molecular Weight281.55 g/mol
Exact Mass279.97
IUPAC Name4-(4-bromobutoxy)-2-chloro-1-fluorobenzene
SMILESFc1ccc(OCCCCBr)cc1Cl
InChIInChI=1S/C10H11BrClFO/c11-5-1-2-6-14-8-3-4-10(13)9(12)7-8/h3-4,7H,1-2,5-6H2
InChIKeyOQWMGRNPVPKJGC-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 54.03
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene?
The IUPAC name of 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene (CID 19369445) is 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene.
What is the SMILES notation for 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene?
The canonical SMILES for 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene is Fc1ccc(OCCCCBr)cc1Cl.
What is the InChIKey of 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene?
The InChIKey is OQWMGRNPVPKJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFO/c11-5-1-2-6-14-8-3-4-10(13)9(12)7-8/h3-4,7H,1-2,5-6H2.
What are the key properties of 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene?
4-(4-bromobutoxy)-2-chloro-1-fluorobenzene has a molecular weight of 281.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobutoxy)-2-chloro-1-fluorobenzene is sourced from PubChem (CID 19369445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).