2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone

C10H7ClFNO — CID 931809

IUPAC2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
SMILESO=C(CCl)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C10H7ClFNO/c11-4-10(14)8-5-13-9-2-1-6(12)3-7(8)9/h1-3,5,13H,4H2
InChIKeyHXIFGVNMNJLYBW-UHFFFAOYSA-N
MW211.62 g/mol
LogP2.73
Rot. Bonds2

About 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone

2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone (PubChem CID 931809) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
PubChem CID931809
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
SMILESO=C(CCl)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C10H7ClFNO/c11-4-10(14)8-5-13-9-2-1-6(12)3-7(8)9/h1-3,5,13H,4H2
InChIKeyHXIFGVNMNJLYBW-UHFFFAOYSA-N
XLogP2.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 63841269
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
1-(5-fluoro-1H-indol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206688
4-(5-fluoro-1H-indol-3-yl)-4-oxobut-2-enoic acid
CID 77054977
1-(5-fluoro-1H-indol-3-yl)-3-methylbut-2-en-1-one
CID 53415736
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone (CID 931809) is 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone is O=C(CCl)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone?
The InChIKey is HXIFGVNMNJLYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c11-4-10(14)8-5-13-9-2-1-6(12)3-7(8)9/h1-3,5,13H,4H2.
What are the key properties of 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone?
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone has a molecular weight of 211.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 931809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).