1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol

C11H12BrFO — CID 115804823

IUPAC1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol
SMILESC=CCCC(O)c1cc(F)ccc1Br
InChIInChI=1S/C11H12BrFO/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h2,5-7,11,14H,1,3-4H2
InChIKeyCONGCNYSZJGQAV-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.59
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol

1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol (PubChem CID 115804823) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol
PubChem CID115804823
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol
SMILESC=CCCC(O)c1cc(F)ccc1Br
InChIInChI=1S/C11H12BrFO/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h2,5-7,11,14H,1,3-4H2
InChIKeyCONGCNYSZJGQAV-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987330
2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
1-(2-bromo-5-fluorophenyl)hex-5-yn-1-ol
CID 115831811
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171198968
1-(2-bromo-5-fluorophenyl)pent-3-yn-1-ol
CID 115779984
1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol
CID 122441896
(1S)-1-(2-bromo-5-fluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171222200
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018417
1-(2-bromo-5-fluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171875172
1-(2,4-dibromophenyl)hex-5-en-1-ol
CID 107947534
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-fluorophenyl)ethanol
CID 115826503

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol (CID 115804823) is 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol is C=CCCC(O)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol?
The InChIKey is CONGCNYSZJGQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h2,5-7,11,14H,1,3-4H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol?
1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol has a molecular weight of 259.12 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol is sourced from PubChem (CID 115804823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).