5-bromo-1-butoxy-3-chloro-2-fluorobenzene

C10H11BrClFO — CID 125116125

IUPAC5-bromo-1-butoxy-3-chloro-2-fluorobenzene
SMILESCCCCOc1cc(Br)cc(Cl)c1F
InChIInChI=1S/C10H11BrClFO/c1-2-3-4-14-9-6-7(11)5-8(12)10(9)13/h5-6H,2-4H2,1H3
InChIKeyIKQGZBILGBUVOJ-UHFFFAOYSA-N
MW281.55 g/mol
LogP4.42
Rot. Bonds4

About 5-bromo-1-butoxy-3-chloro-2-fluorobenzene

5-bromo-1-butoxy-3-chloro-2-fluorobenzene (PubChem CID 125116125) has the molecular formula C10H11BrClFO and a molecular weight of 281.55 g/mol. Its IUPAC name is 5-bromo-1-butoxy-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name5-bromo-1-butoxy-3-chloro-2-fluorobenzene
PubChem CID125116125
Molecular FormulaC10H11BrClFO
Molecular Weight281.55 g/mol
Exact Mass279.97
IUPAC Name5-bromo-1-butoxy-3-chloro-2-fluorobenzene
SMILESCCCCOc1cc(Br)cc(Cl)c1F
InChIInChI=1S/C10H11BrClFO/c1-2-3-4-14-9-6-7(11)5-8(12)10(9)13/h5-6H,2-4H2,1H3
InChIKeyIKQGZBILGBUVOJ-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene
CID 171368274
5-bromo-1-decoxy-2,3-difluorobenzene
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5-bromo-1-chloro-2-ethoxy-3-propoxybenzene
CID 125116272
4-bromo-1,2-dibutoxybenzene
CID 10870333
1,4-dibromo-2-butoxybenzene
CID 69260452
4-bromo-2-(2-butoxyethoxy)-1-fluorobenzene
CID 115919154
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-1-amine
CID 2297485
3-(4-bromo-2-chlorophenoxy)propyl-butylazanium
CID 2297484
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
1,2,4-tribromo-5-butoxybenzene
CID 101293487
1,4-dibromo-2,5-dihexoxybenzene;1,3,5-tribromobenzene
CID 161271933
4-(5-bromo-2,3-difluorophenoxy)butane-1-thiol
CID 107102524

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-butoxy-3-chloro-2-fluorobenzene?
The IUPAC name of 5-bromo-1-butoxy-3-chloro-2-fluorobenzene (CID 125116125) is 5-bromo-1-butoxy-3-chloro-2-fluorobenzene.
What is the SMILES notation for 5-bromo-1-butoxy-3-chloro-2-fluorobenzene?
The canonical SMILES for 5-bromo-1-butoxy-3-chloro-2-fluorobenzene is CCCCOc1cc(Br)cc(Cl)c1F.
What is the InChIKey of 5-bromo-1-butoxy-3-chloro-2-fluorobenzene?
The InChIKey is IKQGZBILGBUVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFO/c1-2-3-4-14-9-6-7(11)5-8(12)10(9)13/h5-6H,2-4H2,1H3.
What are the key properties of 5-bromo-1-butoxy-3-chloro-2-fluorobenzene?
5-bromo-1-butoxy-3-chloro-2-fluorobenzene has a molecular weight of 281.55 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-butoxy-3-chloro-2-fluorobenzene is sourced from PubChem (CID 125116125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).