4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene

C11H9BrF4 — CID 170497926

IUPAC4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(C=CCCBr)cc1C(F)(F)F
InChIInChI=1S/C11H9BrF4/c12-6-2-1-3-8-4-5-10(13)9(7-8)11(14,15)16/h1,3-5,7H,2,6H2
InChIKeyIIUFPNHQQAYEPV-UHFFFAOYSA-N
MW297.09 g/mol
LogP4.64
Rot. Bonds3

About 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene

4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene (PubChem CID 170497926) has the molecular formula C11H9BrF4 and a molecular weight of 297.09 g/mol. Its IUPAC name is 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene
PubChem CID170497926
Molecular FormulaC11H9BrF4
Molecular Weight297.09 g/mol
Exact Mass295.98
IUPAC Name4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(C=CCCBr)cc1C(F)(F)F
InChIInChI=1S/C11H9BrF4/c12-6-2-1-3-8-4-5-10(13)9(7-8)11(14,15)16/h1,3-5,7H,2,6H2
InChIKeyIIUFPNHQQAYEPV-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.09
LogP ≤ 54.64
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-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enenitrile
CID 170800175
(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine
CID 107290638
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
S-[4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170480609
4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enoic acid
CID 170484034
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
1-fluoro-4-prop-1-enyl-2-(trifluoromethyl)benzene
CID 173058439
1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
CID 79016492
tert-butyl N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170490954
1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
CID 169476528
4-[4-bromo-3-(trifluoromethyl)phenyl]but-3-ene-1-thiol
CID 170479442
1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene
CID 23105944

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene (CID 170497926) is 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene is Fc1ccc(C=CCCBr)cc1C(F)(F)F.
What is the InChIKey of 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is IIUFPNHQQAYEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF4/c12-6-2-1-3-8-4-5-10(13)9(7-8)11(14,15)16/h1,3-5,7H,2,6H2.
What are the key properties of 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene?
4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 297.09 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 170497926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).