3-(3,4-difluorophenyl)furan-2-carbaldehyde

C11H6F2O2 — CID 106886467

IUPAC3-(3,4-difluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1occc1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H6F2O2/c12-9-2-1-7(5-10(9)13)8-3-4-15-11(8)6-14/h1-6H
InChIKeyCWHGENGZTCBEJP-UHFFFAOYSA-N
MW208.16 g/mol
LogP3.04
Rot. Bonds2

About 3-(3,4-difluorophenyl)furan-2-carbaldehyde

3-(3,4-difluorophenyl)furan-2-carbaldehyde (PubChem CID 106886467) has the molecular formula C11H6F2O2 and a molecular weight of 208.16 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)furan-2-carbaldehyde
PubChem CID106886467
Molecular FormulaC11H6F2O2
Molecular Weight208.16 g/mol
Exact Mass208.03
IUPAC Name3-(3,4-difluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1occc1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H6F2O2/c12-9-2-1-7(5-10(9)13)8-3-4-15-11(8)6-14/h1-6H
InChIKeyCWHGENGZTCBEJP-UHFFFAOYSA-N
XLogP3.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 53.04
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

3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde
CID 106886583
3-(3,4-diethylphenyl)furan-2-carbaldehyde
CID 106888488
3-(2,4-difluoro-5-methylphenyl)furan-2-carbaldehyde
CID 106888482
3-(3,4-difluorophenyl)-4-fluorobenzaldehyde
CID 61033610
4-(2-formylfuran-3-yl)benzonitrile
CID 154368989
3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde
CID 151991885
3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde
CID 106886589
3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde
CID 106888479
2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid
CID 174478475
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
3-(3-nonylphenyl)furan-2-carbaldehyde
CID 151941952
3-(5-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 106886591

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)furan-2-carbaldehyde?
The IUPAC name of 3-(3,4-difluorophenyl)furan-2-carbaldehyde (CID 106886467) is 3-(3,4-difluorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(3,4-difluorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(3,4-difluorophenyl)furan-2-carbaldehyde is O=Cc1occc1-c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)furan-2-carbaldehyde?
The InChIKey is CWHGENGZTCBEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2O2/c12-9-2-1-7(5-10(9)13)8-3-4-15-11(8)6-14/h1-6H.
What are the key properties of 3-(3,4-difluorophenyl)furan-2-carbaldehyde?
3-(3,4-difluorophenyl)furan-2-carbaldehyde has a molecular weight of 208.16 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 106886467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).