[4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene

C11H9Br2F3 — CID 162539063

IUPAC[4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene
SMILESFC(F)(F)C(CCc1ccccc1)=C(Br)Br
InChIInChI=1S/C11H9Br2F3/c12-10(13)9(11(14,15)16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFYFRHRPTTFIPEJ-UHFFFAOYSA-N
MW358.00 g/mol
LogP5.18
Rot. Bonds3

About [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene

[4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene (PubChem CID 162539063) has the molecular formula C11H9Br2F3 and a molecular weight of 358.00 g/mol. Its IUPAC name is [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene.

Molecular Properties

Compound Name[4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene
PubChem CID162539063
Molecular FormulaC11H9Br2F3
Molecular Weight358.00 g/mol
Exact Mass355.90
IUPAC Name[4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene
SMILESFC(F)(F)C(CCc1ccccc1)=C(Br)Br
InChIInChI=1S/C11H9Br2F3/c12-10(13)9(11(14,15)16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFYFRHRPTTFIPEJ-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.00
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-5-(trifluoromethyl)hex-5-en-3-one
CID 162540058
(4-bromo-4-fluorobut-3-enyl)benzene
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(4-bromo-5,5-difluoropent-4-enyl)benzene
CID 175870793
benzene;2-phenylethylbenzene
CID 18982764
acetic acid;5-phenyl-3-(trifluoromethyl)pent-2-en-1-ol
CID 71419729
lanthanum;3-phenylpropanoic acid
CID 174887955
CID 159131095
CID 159131095
4-bromo-5-methyl-1-phenylhex-4-en-3-one
CID 59864967
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982

Frequently Asked Questions

What is the IUPAC name of [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene?
The IUPAC name of [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene (CID 162539063) is [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene.
What is the SMILES notation for [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene?
The canonical SMILES for [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene is FC(F)(F)C(CCc1ccccc1)=C(Br)Br.
What is the InChIKey of [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene?
The InChIKey is FYFRHRPTTFIPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2F3/c12-10(13)9(11(14,15)16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene?
[4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene has a molecular weight of 358.00 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dibromo-3-(trifluoromethyl)but-3-enyl]benzene is sourced from PubChem (CID 162539063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).