(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone

C15H12FNO2 — CID 82792530

IUPAC(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cccc(F)c23)c(C)o1
InChIInChI=1S/C15H12FNO2/c1-8-6-10(9(2)19-8)15(18)11-7-17-13-5-3-4-12(16)14(11)13/h3-7,17H,1-2H3
InChIKeyXNCKZYACNDEQGL-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.75
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone

(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone (PubChem CID 82792530) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone
PubChem CID82792530
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cccc(F)c23)c(C)o1
InChIInChI=1S/C15H12FNO2/c1-8-6-10(9(2)19-8)15(18)11-7-17-13-5-3-4-12(16)14(11)13/h3-7,17H,1-2H3
InChIKeyXNCKZYACNDEQGL-UHFFFAOYSA-N
XLogP3.75
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylfuran-3-carbonyl)-1H-indole-4-carbonitrile
CID 107918683
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 82793082
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone (CID 82792530) is (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone is Cc1cc(C(=O)c2c[nH]c3cccc(F)c23)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone?
The InChIKey is XNCKZYACNDEQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-8-6-10(9(2)19-8)15(18)11-7-17-13-5-3-4-12(16)14(11)13/h3-7,17H,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone?
(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone has a molecular weight of 257.26 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 82792530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).