1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol

C10H11BrClFO — CID 123429558

IUPAC1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol
SMILESCCCC(O)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C10H11BrClFO/c1-2-3-8(14)9-6(11)4-5-7(12)10(9)13/h4-5,8,14H,2-3H2,1H3
InChIKeyYVWMFHLBEXXQRS-UHFFFAOYSA-N
MW281.55 g/mol
LogP4.08
Rot. Bonds3

About 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol

1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol (PubChem CID 123429558) has the molecular formula C10H11BrClFO and a molecular weight of 281.55 g/mol. Its IUPAC name is 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol
PubChem CID123429558
Molecular FormulaC10H11BrClFO
Molecular Weight281.55 g/mol
Exact Mass279.97
IUPAC Name1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol
SMILESCCCC(O)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C10H11BrClFO/c1-2-3-8(14)9-6(11)4-5-7(12)10(9)13/h4-5,8,14H,2-3H2,1H3
InChIKeyYVWMFHLBEXXQRS-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol?
The IUPAC name of 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol (CID 123429558) is 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol.
What is the SMILES notation for 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol?
The canonical SMILES for 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol is CCCC(O)c1c(Br)ccc(Cl)c1F.
What is the InChIKey of 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol?
The InChIKey is YVWMFHLBEXXQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFO/c1-2-3-8(14)9-6(11)4-5-7(12)10(9)13/h4-5,8,14H,2-3H2,1H3.
What are the key properties of 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol?
1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol has a molecular weight of 281.55 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-chloro-2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 123429558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).