1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one

C13H10ClFO2 — CID 55097729

IUPAC1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C13H10ClFO2/c1-2-11(16)13-6-5-12(17-13)9-4-3-8(14)7-10(9)15/h3-7H,2H2,1H3
InChIKeyJTNQHZQWUZXDSJ-UHFFFAOYSA-N
MW252.67 g/mol
LogP4.33
Rot. Bonds3

About 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one

1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one (PubChem CID 55097729) has the molecular formula C13H10ClFO2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one
PubChem CID55097729
Molecular FormulaC13H10ClFO2
Molecular Weight252.67 g/mol
Exact Mass252.04
IUPAC Name1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C13H10ClFO2/c1-2-11(16)13-6-5-12(17-13)9-4-3-8(14)7-10(9)15/h3-7H,2H2,1H3
InChIKeyJTNQHZQWUZXDSJ-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one
CID 62632388
1-[5-(2,5-dibromophenyl)furan-2-yl]propan-1-one
CID 62631513
5-(2,4-difluorophenyl)furan-2-carbonyl chloride
CID 82117761
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-hydroxyethanone
CID 101497321
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
5-(2,4-difluorophenyl)furan-2-carboxamide
CID 82114716
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 115815694
1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-one
CID 62631863
1-(5-phenylfuran-2-yl)propan-1-one
CID 62631331
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one?
The IUPAC name of 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one (CID 55097729) is 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one is CCC(=O)c1ccc(-c2ccc(Cl)cc2F)o1.
What is the InChIKey of 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one?
The InChIKey is JTNQHZQWUZXDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2/c1-2-11(16)13-6-5-12(17-13)9-4-3-8(14)7-10(9)15/h3-7H,2H2,1H3.
What are the key properties of 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one?
1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one has a molecular weight of 252.67 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one is sourced from PubChem (CID 55097729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).