2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal

C15H11BrF2O — CID 21406740

IUPAC2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal
SMILESCC(C=O)c1ccc(-c2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C15H11BrF2O/c1-9(8-19)10-2-4-12(14(17)6-10)13-5-3-11(16)7-15(13)18/h2-9H,1H3
InChIKeyZZFQKMYYEXNPGK-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.70
Rot. Bonds3

About 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal

2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal (PubChem CID 21406740) has the molecular formula C15H11BrF2O and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal.

Molecular Properties

Compound Name2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal
PubChem CID21406740
Molecular FormulaC15H11BrF2O
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal
SMILESCC(C=O)c1ccc(-c2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C15H11BrF2O/c1-9(8-19)10-2-4-12(14(17)6-10)13-5-3-11(16)7-15(13)18/h2-9H,1H3
InChIKeyZZFQKMYYEXNPGK-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-bromophenyl)propanal
CID 39243198
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
CID 21406772
2-(3-fluoro-4-sulfanylphenyl)propanal
CID 134639403
2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal
CID 21320569
2-(4-bromophenyl)propanal;ethane-1,2-diol
CID 175448284
2-(3-fluoro-4-hexa-2,4-dien-3-ylphenyl)propanal
CID 90770571
2-(3-fluorophenyl)propanal
CID 20610109
3-(4-bromo-2-fluorophenyl)-1-propan-2-ylpyrazole-4-carbaldehyde
CID 81471249
2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
CID 174601594
2-[4-(bromomethyl)-3-hydroxyphenyl]propanal
CID 134639958
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-benzoxazole
CID 95910359
4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
CID 55199317

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal?
The IUPAC name of 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal (CID 21406740) is 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal.
What is the SMILES notation for 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal?
The canonical SMILES for 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal is CC(C=O)c1ccc(-c2ccc(Br)cc2F)c(F)c1.
What is the InChIKey of 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal?
The InChIKey is ZZFQKMYYEXNPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O/c1-9(8-19)10-2-4-12(14(17)6-10)13-5-3-11(16)7-15(13)18/h2-9H,1H3.
What are the key properties of 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal?
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal has a molecular weight of 325.15 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal is sourced from PubChem (CID 21406740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).