3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde

C12H8F2O2 — CID 106888482

IUPAC3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde
SMILESCc1cc(-c2ccoc2C=O)c(F)cc1F
InChIInChI=1S/C12H8F2O2/c1-7-4-9(11(14)5-10(7)13)8-2-3-16-12(8)6-15/h2-6H,1H3
InChIKeyQICDFNYJKRZLPE-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.35
Rot. Bonds2

About 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde

3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde (PubChem CID 106888482) has the molecular formula C12H8F2O2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde
PubChem CID106888482
Molecular FormulaC12H8F2O2
Molecular Weight222.19 g/mol
Exact Mass222.05
IUPAC Name3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde
SMILESCc1cc(-c2ccoc2C=O)c(F)cc1F
InChIInChI=1S/C12H8F2O2/c1-7-4-9(11(14)5-10(7)13)8-2-3-16-12(8)6-15/h2-6H,1H3
InChIKeyQICDFNYJKRZLPE-UHFFFAOYSA-N
XLogP3.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106888969
3-(3,4-difluorophenyl)furan-2-carbaldehyde
CID 106886467
3-(2,4-difluoro-5-methylphenyl)-4-methylbenzaldehyde
CID 105409734
3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde
CID 106886583
3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde
CID 106888479
3-(3,4-diethylphenyl)furan-2-carbaldehyde
CID 106888488
3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888487
3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde
CID 106888467
3-(2,4-difluoro-5-methylphenyl)-2-methylbenzoic acid
CID 79731849
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
CID 106888428
3-(2-formylfuran-3-yl)-4-methoxybenzonitrile
CID 106951012

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde?
The IUPAC name of 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde (CID 106888482) is 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde is Cc1cc(-c2ccoc2C=O)c(F)cc1F.
What is the InChIKey of 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde?
The InChIKey is QICDFNYJKRZLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2/c1-7-4-9(11(14)5-10(7)13)8-2-3-16-12(8)6-15/h2-6H,1H3.
What are the key properties of 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde?
3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde has a molecular weight of 222.19 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 106888482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).