1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine

C11H13BrFN — CID 116660348

IUPAC1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine
SMILESC=CCC(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C11H13BrFN/c1-2-3-11(14)6-8-4-9(12)7-10(13)5-8/h2,4-5,7,11H,1,3,6,14H2
InChIKeyPIZILIHIVFMGKF-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine

1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine (PubChem CID 116660348) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine
PubChem CID116660348
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine
SMILESC=CCC(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C11H13BrFN/c1-2-3-11(14)6-8-4-9(12)7-10(13)5-8/h2,4-5,7,11H,1,3,6,14H2
InChIKeyPIZILIHIVFMGKF-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 79708487
(1S)-1-(3-bromo-5-fluorophenyl)but-3-en-1-amine
CID 131051848
1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105169372
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 79708482
1-(3-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 79709615
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
1-bromo-3-fluoro-5-(fluoromethyl)benzene
CID 118045958

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine (CID 116660348) is 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine is C=CCC(N)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine?
The InChIKey is PIZILIHIVFMGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-2-3-11(14)6-8-4-9(12)7-10(13)5-8/h2,4-5,7,11H,1,3,6,14H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine?
1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine has a molecular weight of 258.13 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine is sourced from PubChem (CID 116660348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).