2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone

C13H10ClFO2 — CID 115797460

IUPAC2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2cccc(F)c2Cl)co1
InChIInChI=1S/C13H10ClFO2/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(15)13(9)14/h2-5,7H,6H2,1H3
InChIKeyMHUQBWPERLYEPQ-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.81
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone (PubChem CID 115797460) has the molecular formula C13H10ClFO2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone
PubChem CID115797460
Molecular FormulaC13H10ClFO2
Molecular Weight252.67 g/mol
Exact Mass252.04
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2cccc(F)c2Cl)co1
InChIInChI=1S/C13H10ClFO2/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(15)13(9)14/h2-5,7H,6H2,1H3
InChIKeyMHUQBWPERLYEPQ-UHFFFAOYSA-N
XLogP3.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114967171
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone
CID 115983474
2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115797451
2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 105412231
2-(2-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 112653310
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one
CID 112653367
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone (CID 115797460) is 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone is Cc1cc(C(=O)Cc2cccc(F)c2Cl)co1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone?
The InChIKey is MHUQBWPERLYEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(15)13(9)14/h2-5,7H,6H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone has a molecular weight of 252.67 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone is sourced from PubChem (CID 115797460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).