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

C16H18FNO — CID 24824341

IUPAC(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2c[nH]c3ccc(F)cc23)C1(C)C
InChIInChI=1S/C16H18FNO/c1-15(2)14(16(15,3)4)13(19)11-8-18-12-6-5-9(17)7-10(11)12/h5-8,14,18H,1-4H3
InChIKeyBEQKAIKDNYVBKW-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.17
Rot. Bonds2

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

(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24824341) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24824341
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2c[nH]c3ccc(F)cc23)C1(C)C
InChIInChI=1S/C16H18FNO/c1-15(2)14(16(15,3)4)13(19)11-8-18-12-6-5-9(17)7-10(11)12/h5-8,14,18H,1-4H3
InChIKeyBEQKAIKDNYVBKW-UHFFFAOYSA-N
XLogP4.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91755802
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24823778
(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824799
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-(5-fluoro-1H-indol-3-yl)-3-methylbut-2-en-1-one
CID 53415736
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
1-(5-fluoro-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 44595830

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24824341) is (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2c[nH]c3ccc(F)cc23)C1(C)C.
What is the InChIKey of (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is BEQKAIKDNYVBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-15(2)14(16(15,3)4)13(19)11-8-18-12-6-5-9(17)7-10(11)12/h5-8,14,18H,1-4H3.
What are the key properties of (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 259.32 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24824341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).