3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde

C10H8BrFO — CID 169475387

IUPAC3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(C=CCBr)c1
InChIInChI=1S/C10H8BrFO/c11-3-1-2-8-4-9(7-13)6-10(12)5-8/h1-2,4-7H,3H2
InChIKeyMJBXZCVBLYWCBF-UHFFFAOYSA-N
MW243.08 g/mol
LogP3.05
Rot. Bonds3

About 3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde

3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde (PubChem CID 169475387) has the molecular formula C10H8BrFO and a molecular weight of 243.08 g/mol. Its IUPAC name is 3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
PubChem CID169475387
Molecular FormulaC10H8BrFO
Molecular Weight243.08 g/mol
Exact Mass241.97
IUPAC Name3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(C=CCBr)c1
InChIInChI=1S/C10H8BrFO/c11-3-1-2-8-4-9(7-13)6-10(12)5-8/h1-2,4-7H,3H2
InChIKeyMJBXZCVBLYWCBF-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 53.05
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-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473500
3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
CID 169463470
3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
CID 169476273
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
CID 169475773
3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde
CID 169464639
3-bromo-5-(3-sulfanylprop-1-enyl)benzaldehyde
CID 169456350
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
4-(3-chloro-5-fluorophenyl)but-3-enal
CID 170481430

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde?
The IUPAC name of 3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde (CID 169475387) is 3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde is O=Cc1cc(F)cc(C=CCBr)c1.
What is the InChIKey of 3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde?
The InChIKey is MJBXZCVBLYWCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO/c11-3-1-2-8-4-9(7-13)6-10(12)5-8/h1-2,4-7H,3H2.
What are the key properties of 3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde?
3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde has a molecular weight of 243.08 g/mol, XLogP of 3.05, 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-fluorobenzaldehyde is sourced from PubChem (CID 169475387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).