2-(2,4-difluorophenoxy)butanal

C10H10F2O2 — CID 141368365

IUPAC2-(2,4-difluorophenoxy)butanal
SMILESCCC(C=O)Oc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O2/c1-2-8(6-13)14-10-4-3-7(11)5-9(10)12/h3-6,8H,2H2,1H3
InChIKeyLRVNXQAUFLKRLV-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.32
Rot. Bonds4

About 2-(2,4-difluorophenoxy)butanal

2-(2,4-difluorophenoxy)butanal (PubChem CID 141368365) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)butanal.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)butanal
PubChem CID141368365
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2-(2,4-difluorophenoxy)butanal
SMILESCCC(C=O)Oc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O2/c1-2-8(6-13)14-10-4-3-7(11)5-9(10)12/h3-6,8H,2H2,1H3
InChIKeyLRVNXQAUFLKRLV-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)butanal?
The IUPAC name of 2-(2,4-difluorophenoxy)butanal (CID 141368365) is 2-(2,4-difluorophenoxy)butanal.
What is the SMILES notation for 2-(2,4-difluorophenoxy)butanal?
The canonical SMILES for 2-(2,4-difluorophenoxy)butanal is CCC(C=O)Oc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)butanal?
The InChIKey is LRVNXQAUFLKRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-2-8(6-13)14-10-4-3-7(11)5-9(10)12/h3-6,8H,2H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)butanal?
2-(2,4-difluorophenoxy)butanal has a molecular weight of 200.18 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)butanal is sourced from PubChem (CID 141368365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).