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

C11H13BrFN — CID 114894567

IUPAC1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFN/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h2,5-7,11H,1,3-4,14H2
InChIKeyLGDQDHXGNSBOCB-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.55
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine (PubChem CID 114894567) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
PubChem CID114894567
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFN/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h2,5-7,11H,1,3-4,14H2
InChIKeyLGDQDHXGNSBOCB-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.55
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

(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171204036
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
1-(2-bromo-3-fluorophenyl)pent-4-en-1-amine
CID 104987731
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine (CID 114894567) is 1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine is C=CCCC(N)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine?
The InChIKey is LGDQDHXGNSBOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h2,5-7,11H,1,3-4,14H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine?
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine has a molecular weight of 258.13 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine is sourced from PubChem (CID 114894567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).