1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene

C16H14BrF — CID 57258475

IUPAC1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
SMILESFc1ccc(C(=CCCBr)c2ccccc2)cc1
InChIInChI=1S/C16H14BrF/c17-12-4-7-16(13-5-2-1-3-6-13)14-8-10-15(18)11-9-14/h1-3,5-11H,4,12H2
InChIKeyKGAXPFIJBMXPLB-UHFFFAOYSA-N
MW305.19 g/mol
LogP5.04
Rot. Bonds4

About 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene

1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene (PubChem CID 57258475) has the molecular formula C16H14BrF and a molecular weight of 305.19 g/mol. Its IUPAC name is 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
PubChem CID57258475
Molecular FormulaC16H14BrF
Molecular Weight305.19 g/mol
Exact Mass304.03
IUPAC Name1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
SMILESFc1ccc(C(=CCCBr)c2ccccc2)cc1
InChIInChI=1S/C16H14BrF/c17-12-4-7-16(13-5-2-1-3-6-13)14-8-10-15(18)11-9-14/h1-3,5-11H,4,12H2
InChIKeyKGAXPFIJBMXPLB-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.19
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-1-phenylbut-1-enyl)benzene
CID 10401774
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
CID 172688289
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
(E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine
CID 6444436
N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide
CID 11624372
3,3-bis(4-fluorophenyl)prop-2-en-1-ol
CID 71352890
2-[4,4-bis(4-fluorophenyl)but-3-enyl]isoindole-1,3-dione
CID 110168474
[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene
CID 19703232
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
(E)-5-(4-fluorophenyl)-5-pyridin-3-ylpent-4-en-1-ol
CID 15087804
[(E)-6-bromohex-3-en-1-yn-3-yl]benzene
CID 139252123

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene?
The IUPAC name of 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene (CID 57258475) is 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene.
What is the SMILES notation for 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene?
The canonical SMILES for 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene is Fc1ccc(C(=CCCBr)c2ccccc2)cc1.
What is the InChIKey of 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene?
The InChIKey is KGAXPFIJBMXPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF/c17-12-4-7-16(13-5-2-1-3-6-13)14-8-10-15(18)11-9-14/h1-3,5-11H,4,12H2.
What are the key properties of 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene?
1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene has a molecular weight of 305.19 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene is sourced from PubChem (CID 57258475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).