(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone

C14H14FNO2 — CID 114824799

IUPAC(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2c[nH]c3ccc(F)cc23)CO1
InChIInChI=1S/C14H14FNO2/c1-8-4-9(7-18-8)14(17)12-6-16-13-3-2-10(15)5-11(12)13/h2-3,5-6,8-9,16H,4,7H2,1H3
InChIKeyKSBRNGZESINISM-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.91
Rot. Bonds2

About (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone

(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114824799) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114824799
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2c[nH]c3ccc(F)cc23)CO1
InChIInChI=1S/C14H14FNO2/c1-8-4-9(7-18-8)14(17)12-6-16-13-3-2-10(15)5-11(12)13/h2-3,5-6,8-9,16H,4,7H2,1H3
InChIKeyKSBRNGZESINISM-UHFFFAOYSA-N
XLogP2.91
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)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-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972
2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 946004
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
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824695
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
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
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone (CID 114824799) is (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)c2c[nH]c3ccc(F)cc23)CO1.
What is the InChIKey of (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is KSBRNGZESINISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-8-4-9(7-18-8)14(17)12-6-16-13-3-2-10(15)5-11(12)13/h2-3,5-6,8-9,16H,4,7H2,1H3.
What are the key properties of (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone?
(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 247.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).