2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone

C12H8ClFO3 — CID 60624476

IUPAC2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone
SMILESO=C(COc1ccc(F)cc1Cl)c1ccco1
InChIInChI=1S/C12H8ClFO3/c13-9-6-8(14)3-4-11(9)17-7-10(15)12-2-1-5-16-12/h1-6H,7H2
InChIKeyVGHHGBQOKQDKEO-UHFFFAOYSA-N
MW254.64 g/mol
LogP3.33
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone

2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone (PubChem CID 60624476) has the molecular formula C12H8ClFO3 and a molecular weight of 254.64 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone
PubChem CID60624476
Molecular FormulaC12H8ClFO3
Molecular Weight254.64 g/mol
Exact Mass254.01
IUPAC Name2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone
SMILESO=C(COc1ccc(F)cc1Cl)c1ccco1
InChIInChI=1S/C12H8ClFO3/c13-9-6-8(14)3-4-11(9)17-7-10(15)12-2-1-5-16-12/h1-6H,7H2
InChIKeyVGHHGBQOKQDKEO-UHFFFAOYSA-N
XLogP3.33
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone
CID 60626106
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920
2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
CID 55026653
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
CID 60652409

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone (CID 60624476) is 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone is O=C(COc1ccc(F)cc1Cl)c1ccco1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone?
The InChIKey is VGHHGBQOKQDKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO3/c13-9-6-8(14)3-4-11(9)17-7-10(15)12-2-1-5-16-12/h1-6H,7H2.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone?
2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone has a molecular weight of 254.64 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 60624476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).