2,2-bis(furan-2-yl)acetyl chloride

C10H7ClO3 — CID 87723454

IUPAC2,2-bis(furan-2-yl)acetyl chloride
SMILESO=C(Cl)C(c1ccco1)c1ccco1
InChIInChI=1S/C10H7ClO3/c11-10(12)9(7-3-1-5-13-7)8-4-2-6-14-8/h1-6,9H
InChIKeyUHRSAQUVFSXNSM-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.77
Rot. Bonds3

About 2,2-bis(furan-2-yl)acetyl chloride

2,2-bis(furan-2-yl)acetyl chloride (PubChem CID 87723454) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2,2-bis(furan-2-yl)acetyl chloride.

Molecular Properties

Compound Name2,2-bis(furan-2-yl)acetyl chloride
PubChem CID87723454
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name2,2-bis(furan-2-yl)acetyl chloride
SMILESO=C(Cl)C(c1ccco1)c1ccco1
InChIInChI=1S/C10H7ClO3/c11-10(12)9(7-3-1-5-13-7)8-4-2-6-14-8/h1-6,9H
InChIKeyUHRSAQUVFSXNSM-UHFFFAOYSA-N
XLogP2.77
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)propanedioic acid
CID 19790856
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
2-(furan-2-yl)-2-hydroxyacetate
CID 4549959
4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
2-(furan-2-yl)propanamide;hydrochloride
CID 69414482
2,2,2-trichloro-1-(furan-2-yl)ethanol
CID 11356360
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-(furan-2-yl)-3-sulfanylpropanoic acid
CID 117241167
2-(furan-2-yl)-3,3-dimethylbutanoic acid
CID 83817123
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(furan-2-yl)acetyl chloride?
The IUPAC name of 2,2-bis(furan-2-yl)acetyl chloride (CID 87723454) is 2,2-bis(furan-2-yl)acetyl chloride.
What is the SMILES notation for 2,2-bis(furan-2-yl)acetyl chloride?
The canonical SMILES for 2,2-bis(furan-2-yl)acetyl chloride is O=C(Cl)C(c1ccco1)c1ccco1.
What is the InChIKey of 2,2-bis(furan-2-yl)acetyl chloride?
The InChIKey is UHRSAQUVFSXNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c11-10(12)9(7-3-1-5-13-7)8-4-2-6-14-8/h1-6,9H.
What are the key properties of 2,2-bis(furan-2-yl)acetyl chloride?
2,2-bis(furan-2-yl)acetyl chloride has a molecular weight of 210.62 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(furan-2-yl)acetyl chloride is sourced from PubChem (CID 87723454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).