2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid

C26H27F2NO3 — CID 156877542

IUPAC2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid
SMILESCc1cc(-n2c(C(C)C)c(C3CC4(C3)CC(F)(C(=O)O)C4)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C26H27F2NO3/c1-14(2)23-22(16-10-25(11-16)12-26(28,13-25)24(31)32)19-9-18(30)5-7-21(19)29(23)17-4-6-20(27)15(3)8-17/h4-9,14,16,30H,10-13H2,1-3H3,(H,31,32)
InChIKeyCFHDJOGDONTYCA-UHFFFAOYSA-N
MW439.50 g/mol
LogP6.36
Rot. Bonds4

About 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid

2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid (PubChem CID 156877542) has the molecular formula C26H27F2NO3 and a molecular weight of 439.50 g/mol. Its IUPAC name is 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid
PubChem CID156877542
Molecular FormulaC26H27F2NO3
Molecular Weight439.50 g/mol
Exact Mass439.20
IUPAC Name2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid
SMILESCc1cc(-n2c(C(C)C)c(C3CC4(C3)CC(F)(C(=O)O)C4)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C26H27F2NO3/c1-14(2)23-22(16-10-25(11-16)12-26(28,13-25)24(31)32)19-9-18(30)5-7-21(19)29(23)17-4-6-20(27)15(3)8-17/h4-9,14,16,30H,10-13H2,1-3H3,(H,31,32)
InChIKeyCFHDJOGDONTYCA-UHFFFAOYSA-N
XLogP6.36
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.50
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid (CID 156877542) is 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid is Cc1cc(-n2c(C(C)C)c(C3CC4(C3)CC(F)(C(=O)O)C4)c3cc(O)ccc32)ccc1F.
What is the InChIKey of 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid?
The InChIKey is CFHDJOGDONTYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2NO3/c1-14(2)23-22(16-10-25(11-16)12-26(28,13-25)24(31)32)19-9-18(30)5-7-21(19)29(23)17-4-6-20(27)15(3)8-17/h4-9,14,16,30H,10-13H2,1-3H3,(H,31,32).
What are the key properties of 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid?
2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid has a molecular weight of 439.50 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 156877542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).