5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde

C11H5Cl2FO2 — CID 169335954

IUPAC5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(F)ccc(Cl)c2Cl)o1
InChIInChI=1S/C11H5Cl2FO2/c12-7-2-3-8(14)10(11(7)13)9-4-1-6(5-15)16-9/h1-5H
InChIKeyTWIZYQNKFMOBMB-UHFFFAOYSA-N
MW259.06 g/mol
LogP4.20
Rot. Bonds2

About 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde

5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde (PubChem CID 169335954) has the molecular formula C11H5Cl2FO2 and a molecular weight of 259.06 g/mol. Its IUPAC name is 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde
PubChem CID169335954
Molecular FormulaC11H5Cl2FO2
Molecular Weight259.06 g/mol
Exact Mass257.97
IUPAC Name5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(F)ccc(Cl)c2Cl)o1
InChIInChI=1S/C11H5Cl2FO2/c12-7-2-3-8(14)10(11(7)13)9-4-1-6(5-15)16-9/h1-5H
InChIKeyTWIZYQNKFMOBMB-UHFFFAOYSA-N
XLogP4.20
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-bromo-4-chloro-6-fluorophenyl)furan-2-carbaldehyde
CID 169331721
5-(2,3,4-trichlorophenyl)furan-2-carbaldehyde
CID 169332109
3,6-difluoro-2-(5-formylfuran-2-yl)benzoic acid
CID 169335611
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carbaldehyde
CID 65474543
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
4-bromo-2-chloro-3-(5-formylfuran-2-yl)benzonitrile
CID 169334379
5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169332018
2-bromo-3-fluoro-6-(5-formylfuran-2-yl)-5-methylbenzoic acid
CID 169335911

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde (CID 169335954) is 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2c(F)ccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde?
The InChIKey is TWIZYQNKFMOBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FO2/c12-7-2-3-8(14)10(11(7)13)9-4-1-6(5-15)16-9/h1-5H.
What are the key properties of 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde?
5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde has a molecular weight of 259.06 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloro-6-fluorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169335954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).