1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene

C11H10BrF3 — CID 79016492

IUPAC1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C=CCCBr)c1
InChIInChI=1S/C11H10BrF3/c12-7-2-1-4-9-5-3-6-10(8-9)11(13,14)15/h1,3-6,8H,2,7H2
InChIKeyYUDVUBXMEOZSKT-UHFFFAOYSA-N
MW279.10 g/mol
LogP4.50
Rot. Bonds3

About 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene

1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene (PubChem CID 79016492) has the molecular formula C11H10BrF3 and a molecular weight of 279.10 g/mol. Its IUPAC name is 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
PubChem CID79016492
Molecular FormulaC11H10BrF3
Molecular Weight279.10 g/mol
Exact Mass277.99
IUPAC Name1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C=CCCBr)c1
InChIInChI=1S/C11H10BrF3/c12-7-2-1-4-9-5-3-6-10(8-9)11(13,14)15/h1,3-6,8H,2,7H2
InChIKeyYUDVUBXMEOZSKT-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 54.50
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

1-(4-bromobut-1-enyl)-3-tert-butylbenzene
CID 170497666
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447
N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79599160
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935
3-(4-bromobut-1-enyl)benzenethiol
CID 170496900
1-(4-bromobut-1-enyl)-3-ethenylbenzene
CID 170497014
1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene
CID 71608776
4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 170497926
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
3-[3-(trifluoromethyl)phenyl]prop-2-enyl methanesulfonate
CID 91411558
1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene (CID 79016492) is 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(C=CCCBr)c1.
What is the InChIKey of 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene?
The InChIKey is YUDVUBXMEOZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3/c12-7-2-1-4-9-5-3-6-10(8-9)11(13,14)15/h1,3-6,8H,2,7H2.
What are the key properties of 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene?
1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene has a molecular weight of 279.10 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 79016492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).