3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde

C11H8BrF3O — CID 169476273

IUPAC3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C=CCBr)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8BrF3O/c12-3-1-2-8-4-9(7-16)6-10(5-8)11(13,14)15/h1-2,4-7H,3H2
InChIKeyONGNMHYXKRHVIB-UHFFFAOYSA-N
MW293.08 g/mol
LogP3.93
Rot. Bonds3

About 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde

3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde (PubChem CID 169476273) has the molecular formula C11H8BrF3O and a molecular weight of 293.08 g/mol. Its IUPAC name is 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
PubChem CID169476273
Molecular FormulaC11H8BrF3O
Molecular Weight293.08 g/mol
Exact Mass291.97
IUPAC Name3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C=CCBr)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8BrF3O/c12-3-1-2-8-4-9(7-16)6-10(5-8)11(13,14)15/h1-2,4-7H,3H2
InChIKeyONGNMHYXKRHVIB-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
CID 169475387
3-(3-azidoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
CID 169462541
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene
CID 169476243
4-[3-methyl-5-(trifluoromethyl)phenyl]but-3-enal
CID 170482331
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935
3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476262
(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
CID 118168632
4-[3-methoxy-5-(trifluoromethyl)phenyl]but-3-enal
CID 170482691
3-(4-hydroxybut-1-enyl)-5-(trifluoromethoxy)benzaldehyde
CID 170477457
1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene
CID 169476529
3-bromo-5-(trifluoromethyl)benzaldehyde;N,2-dimethylpropan-2-amine
CID 144724525

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde (CID 169476273) is 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde is O=Cc1cc(C=CCBr)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde?
The InChIKey is ONGNMHYXKRHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3O/c12-3-1-2-8-4-9(7-16)6-10(5-8)11(13,14)15/h1-2,4-7H,3H2.
What are the key properties of 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde?
3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde has a molecular weight of 293.08 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 169476273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).