1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone

C16H10ClFO2 — CID 63091479

IUPAC1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C16H10ClFO2/c17-13-9-12(18)6-5-10(13)7-14(19)16-8-11-3-1-2-4-15(11)20-16/h1-6,8-9H,7H2
InChIKeyDKEGZNDAGNXWIK-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.65
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone

1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone (PubChem CID 63091479) has the molecular formula C16H10ClFO2 and a molecular weight of 288.71 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone
PubChem CID63091479
Molecular FormulaC16H10ClFO2
Molecular Weight288.71 g/mol
Exact Mass288.04
IUPAC Name1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C16H10ClFO2/c17-13-9-12(18)6-5-10(13)7-14(19)16-8-11-3-1-2-4-15(11)20-16/h1-6,8-9H,7H2
InChIKeyDKEGZNDAGNXWIK-UHFFFAOYSA-N
XLogP4.65
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107307868
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone
CID 55083649
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
1-(1-benzofuran-2-yl)-2-(3,4-dichloroanilino)ethanone
CID 110824293
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one
CID 7346664

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone (CID 63091479) is 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1Cl)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone?
The InChIKey is DKEGZNDAGNXWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO2/c17-13-9-12(18)6-5-10(13)7-14(19)16-8-11-3-1-2-4-15(11)20-16/h1-6,8-9H,7H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone?
1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone has a molecular weight of 288.71 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone is sourced from PubChem (CID 63091479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).