5-chloro-2-(2-chloro-4-fluorophenyl)pentanal

C11H11Cl2FO — CID 126693047

IUPAC5-chloro-2-(2-chloro-4-fluorophenyl)pentanal
SMILESO=CC(CCCCl)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11Cl2FO/c12-5-1-2-8(7-15)10-4-3-9(14)6-11(10)13/h3-4,6-8H,1-2,5H2
InChIKeyLPDRDPAGOHQTCO-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.78
Rot. Bonds5

About 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal

5-chloro-2-(2-chloro-4-fluorophenyl)pentanal (PubChem CID 126693047) has the molecular formula C11H11Cl2FO and a molecular weight of 249.11 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-4-fluorophenyl)pentanal
PubChem CID126693047
Molecular FormulaC11H11Cl2FO
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name5-chloro-2-(2-chloro-4-fluorophenyl)pentanal
SMILESO=CC(CCCCl)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11Cl2FO/c12-5-1-2-8(7-15)10-4-3-9(14)6-11(10)13/h3-4,6-8H,1-2,5H2
InChIKeyLPDRDPAGOHQTCO-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.78
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

(1R)-1-(2-chloro-4-fluorophenyl)pentane-1,5-diamine
CID 171204201
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
3-chloro-1-(2-chloro-4-fluorophenyl)propane-1,2-diol
CID 171861599
2-(2,4-difluorophenyl)butanal
CID 83828727
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
CID 66510702
6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
CID 175646824
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693361
4-amino-4-(2-chloro-4-fluorophenyl)butanoic acid
CID 84695091
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
1-(6-chlorohexan-2-yl)-2,4-difluorobenzene
CID 91591795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal?
The IUPAC name of 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal (CID 126693047) is 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal.
What is the SMILES notation for 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal?
The canonical SMILES for 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal is O=CC(CCCCl)c1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal?
The InChIKey is LPDRDPAGOHQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FO/c12-5-1-2-8(7-15)10-4-3-9(14)6-11(10)13/h3-4,6-8H,1-2,5H2.
What are the key properties of 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal?
5-chloro-2-(2-chloro-4-fluorophenyl)pentanal has a molecular weight of 249.11 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloro-4-fluorophenyl)pentanal is sourced from PubChem (CID 126693047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).