4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol

C10H9Br2FO — CID 170477624

IUPAC4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol
SMILESOCCC=Cc1c(Br)cc(F)cc1Br
InChIInChI=1S/C10H9Br2FO/c11-9-5-7(13)6-10(12)8(9)3-1-2-4-14/h1,3,5-6,14H,2,4H2
InChIKeyNPDJIDCGGDWTMK-UHFFFAOYSA-N
MW323.99 g/mol
LogP3.75
Rot. Bonds3

About 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol

4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol (PubChem CID 170477624) has the molecular formula C10H9Br2FO and a molecular weight of 323.99 g/mol. Its IUPAC name is 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol
PubChem CID170477624
Molecular FormulaC10H9Br2FO
Molecular Weight323.99 g/mol
Exact Mass321.90
IUPAC Name4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol
SMILESOCCC=Cc1c(Br)cc(F)cc1Br
InChIInChI=1S/C10H9Br2FO/c11-9-5-7(13)6-10(12)8(9)3-1-2-4-14/h1,3,5-6,14H,2,4H2
InChIKeyNPDJIDCGGDWTMK-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.99
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol?
The IUPAC name of 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol (CID 170477624) is 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol.
What is the SMILES notation for 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol?
The canonical SMILES for 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol is OCCC=Cc1c(Br)cc(F)cc1Br.
What is the InChIKey of 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol?
The InChIKey is NPDJIDCGGDWTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2FO/c11-9-5-7(13)6-10(12)8(9)3-1-2-4-14/h1,3,5-6,14H,2,4H2.
What are the key properties of 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol?
4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol has a molecular weight of 323.99 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dibromo-4-fluorophenyl)but-3-en-1-ol is sourced from PubChem (CID 170477624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).