2-(2,4-difluorophenyl)butanal

C10H10F2O — CID 83828727

IUPAC2-(2,4-difluorophenyl)butanal
SMILESCCC(C=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O/c1-2-7(6-13)9-4-3-8(11)5-10(9)12/h3-7H,2H2,1H3
InChIKeyWVGVACJGIHMZJX-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.66
Rot. Bonds3

About 2-(2,4-difluorophenyl)butanal

2-(2,4-difluorophenyl)butanal (PubChem CID 83828727) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)butanal.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)butanal
PubChem CID83828727
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-(2,4-difluorophenyl)butanal
SMILESCCC(C=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O/c1-2-7(6-13)9-4-3-8(11)5-10(9)12/h3-7H,2H2,1H3
InChIKeyWVGVACJGIHMZJX-UHFFFAOYSA-N
XLogP2.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorophenyl)butanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-fluorophenyl)butanal
CID 130820553
ethyl 2-(2,4-difluorophenyl)-3-oxopropanoate
CID 21200441
2-(2,4-difluorophenoxy)butanal
CID 141368365
1-(2,4-difluorophenyl)-2-methoxybutan-1-amine
CID 116715202
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid
CID 43803709
1-(2,4-difluorophenyl)-1-methoxybutan-2-one
CID 83225368
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
2-[(2,5-difluorophenyl)methyl]butanal
CID 83831494
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
1-(2,4-difluorophenyl)propyldiazene
CID 54492582

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)butanal?
The IUPAC name of 2-(2,4-difluorophenyl)butanal (CID 83828727) is 2-(2,4-difluorophenyl)butanal.
What is the SMILES notation for 2-(2,4-difluorophenyl)butanal?
The canonical SMILES for 2-(2,4-difluorophenyl)butanal is CCC(C=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)butanal?
The InChIKey is WVGVACJGIHMZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-2-7(6-13)9-4-3-8(11)5-10(9)12/h3-7H,2H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)butanal?
2-(2,4-difluorophenyl)butanal has a molecular weight of 184.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)butanal is sourced from PubChem (CID 83828727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).