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

C16H18FNO2 — CID 82792647

IUPAC(4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2c[nH]c3cccc(F)c23)C1C
InChIInChI=1S/C16H18FNO2/c1-8-9(2)20-10(3)14(8)16(19)11-7-18-13-6-4-5-12(17)15(11)13/h4-10,14,18H,1-3H3
InChIKeyXTNAXWXXEHAMFU-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.55
Rot. Bonds2

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

(4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 82792647) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID82792647
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2c[nH]c3cccc(F)c23)C1C
InChIInChI=1S/C16H18FNO2/c1-8-9(2)20-10(3)14(8)16(19)11-7-18-13-6-4-5-12(17)15(11)13/h4-10,14,18H,1-3H3
InChIKeyXTNAXWXXEHAMFU-UHFFFAOYSA-N
XLogP3.55
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-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

7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
CID 82792286
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
2-(4-fluoro-1H-indol-3-yl)-2-oxo-N,N-bis(trideuteriomethyl)acetamide
CID 156821103
(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107176683
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792530
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312
1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
CID 82781940
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 82792647) is (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)c2c[nH]c3cccc(F)c23)C1C.
What is the InChIKey of (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is XTNAXWXXEHAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-8-9(2)20-10(3)14(8)16(19)11-7-18-13-6-4-5-12(17)15(11)13/h4-10,14,18H,1-3H3.
What are the key properties of (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 275.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 82792647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).