1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene

C10H8BrF3 — CID 141113367

IUPAC1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene
SMILESCC=Cc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H8BrF3/c1-2-3-7-4-5-9(11)8(6-7)10(12,13)14/h2-6H,1H3
InChIKeyYQONZIUVSCEJCQ-UHFFFAOYSA-N
MW265.07 g/mol
LogP4.50
Rot. Bonds1

About 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene

1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene (PubChem CID 141113367) has the molecular formula C10H8BrF3 and a molecular weight of 265.07 g/mol. Its IUPAC name is 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene
PubChem CID141113367
Molecular FormulaC10H8BrF3
Molecular Weight265.07 g/mol
Exact Mass263.98
IUPAC Name1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene
SMILESCC=Cc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H8BrF3/c1-2-3-7-4-5-9(11)8(6-7)10(12,13)14/h2-6H,1H3
InChIKeyYQONZIUVSCEJCQ-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-prop-1-enyl-2-(trifluoromethyl)benzene
CID 173058439
1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
CID 169476528
3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169474659
4-[4-bromo-3-(trifluoromethyl)phenyl]but-3-ene-1-thiol
CID 170479442
3-[[4-bromo-3-(trifluoromethyl)phenyl]methylidene]azetidine
CID 163262931
1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
CID 144882970
4-[[4-bromo-3-(trifluoromethyl)phenyl]methylidene]-1-propan-2-ylpiperidine
CID 71283822
1-bromo-4-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131433063
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-amine
CID 105004541
[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium
CID 174512968
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene
CID 154685385

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene (CID 141113367) is 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene is CC=Cc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene?
The InChIKey is YQONZIUVSCEJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3/c1-2-3-7-4-5-9(11)8(6-7)10(12,13)14/h2-6H,1H3.
What are the key properties of 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene?
1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene has a molecular weight of 265.07 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 141113367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).