2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal

C15H11Cl2FO — CID 21406797

IUPAC2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal
SMILESCC(C=O)c1ccc(-c2ccc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO/c1-9(8-19)10-2-4-12(14(17)6-10)13-5-3-11(16)7-15(13)18/h2-9H,1H3
InChIKeyFTSCICKQKFRBII-UHFFFAOYSA-N
MW297.16 g/mol
LogP5.10
Rot. Bonds3

About 2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal

2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal (PubChem CID 21406797) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal.

Molecular Properties

Compound Name2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal
PubChem CID21406797
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal
SMILESCC(C=O)c1ccc(-c2ccc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO/c1-9(8-19)10-2-4-12(14(17)6-10)13-5-3-11(16)7-15(13)18/h2-9H,1H3
InChIKeyFTSCICKQKFRBII-UHFFFAOYSA-N
XLogP5.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.16
LogP ≤ 55.10
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

2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal
CID 21406740
2-(4-chloro-3-methylphenyl)propanal
CID 57241327
2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid
CID 21406779
2-(3-fluoro-4-sulfanylphenyl)propanal
CID 134639403
2-[4-(chloromethyl)-3-fluorophenyl]propanal
CID 134639738
2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal
CID 21320569
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633775
2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
CID 174601594
2-(3,5-dichlorophenyl)propanal
CID 54061579
2-(4-chloro-3-fluorophenyl)-3-methylbutanal
CID 83835556
2-(5-chloro-2-methylphenyl)propanal
CID 174483825
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal?
The IUPAC name of 2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal (CID 21406797) is 2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal.
What is the SMILES notation for 2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal?
The canonical SMILES for 2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal is CC(C=O)c1ccc(-c2ccc(Cl)cc2F)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal?
The InChIKey is FTSCICKQKFRBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO/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-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal?
2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal has a molecular weight of 297.16 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal is sourced from PubChem (CID 21406797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).