5-(2,4-difluorophenyl)furan-2-carbonyl chloride

C11H5ClF2O2 — CID 82117761

IUPAC5-(2,4-difluorophenyl)furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C11H5ClF2O2/c12-11(15)10-4-3-9(16-10)7-2-1-6(13)5-8(7)14/h1-5H
InChIKeyNSQDNRVUBXTHPZ-UHFFFAOYSA-N
MW242.61 g/mol
LogP3.60
Rot. Bonds2

About 5-(2,4-difluorophenyl)furan-2-carbonyl chloride

5-(2,4-difluorophenyl)furan-2-carbonyl chloride (PubChem CID 82117761) has the molecular formula C11H5ClF2O2 and a molecular weight of 242.61 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)furan-2-carbonyl chloride.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)furan-2-carbonyl chloride
PubChem CID82117761
Molecular FormulaC11H5ClF2O2
Molecular Weight242.61 g/mol
Exact Mass241.99
IUPAC Name5-(2,4-difluorophenyl)furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C11H5ClF2O2/c12-11(15)10-4-3-9(16-10)7-2-1-6(13)5-8(7)14/h1-5H
InChIKeyNSQDNRVUBXTHPZ-UHFFFAOYSA-N
XLogP3.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-difluorophenyl)furan-2-carboxamide
CID 82114716
5-(2,4-dibromophenyl)furan-2-carbonyl chloride
CID 17274076
1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one
CID 55097729
(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate
CID 7164671
1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone
CID 107530720
N-(diaminomethylidene)-5-(2,5-difluorophenyl)furan-2-carboxamide
CID 11737171
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9429422
5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride
CID 23009302
methyl 5-(5-fluoro-2-methylphenyl)furan-2-carboxylate
CID 11310857
5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21208584
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 43972042
(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone
CID 10273546

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)furan-2-carbonyl chloride?
The IUPAC name of 5-(2,4-difluorophenyl)furan-2-carbonyl chloride (CID 82117761) is 5-(2,4-difluorophenyl)furan-2-carbonyl chloride.
What is the SMILES notation for 5-(2,4-difluorophenyl)furan-2-carbonyl chloride?
The canonical SMILES for 5-(2,4-difluorophenyl)furan-2-carbonyl chloride is O=C(Cl)c1ccc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 5-(2,4-difluorophenyl)furan-2-carbonyl chloride?
The InChIKey is NSQDNRVUBXTHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF2O2/c12-11(15)10-4-3-9(16-10)7-2-1-6(13)5-8(7)14/h1-5H.
What are the key properties of 5-(2,4-difluorophenyl)furan-2-carbonyl chloride?
5-(2,4-difluorophenyl)furan-2-carbonyl chloride has a molecular weight of 242.61 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)furan-2-carbonyl chloride is sourced from PubChem (CID 82117761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).