propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate

C16H19F2NO3 — CID 134573273

IUPACpropan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
SMILESCC(C)OC(=O)n1ccc2c(F)c(OC(C)(C)C)cc(F)c21
InChIInChI=1S/C16H19F2NO3/c1-9(2)21-15(20)19-7-6-10-13(18)12(22-16(3,4)5)8-11(17)14(10)19/h6-9H,1-5H3
InChIKeyVKOMYJSLQYDXBC-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.49
Rot. Bonds2

About propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate

propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate (PubChem CID 134573273) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
PubChem CID134573273
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Namepropan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
SMILESCC(C)OC(=O)n1ccc2c(F)c(OC(C)(C)C)cc(F)c21
InChIInChI=1S/C16H19F2NO3/c1-9(2)21-15(20)19-7-6-10-13(18)12(22-16(3,4)5)8-11(17)14(10)19/h6-9H,1-5H3
InChIKeyVKOMYJSLQYDXBC-UHFFFAOYSA-N
XLogP4.49
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate 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 propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
The IUPAC name of propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate (CID 134573273) is propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate.
What is the SMILES notation for propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
The canonical SMILES for propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate is CC(C)OC(=O)n1ccc2c(F)c(OC(C)(C)C)cc(F)c21.
What is the InChIKey of propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
The InChIKey is VKOMYJSLQYDXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-9(2)21-15(20)19-7-6-10-13(18)12(22-16(3,4)5)8-11(17)14(10)19/h6-9H,1-5H3.
What are the key properties of propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate has a molecular weight of 311.33 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate is sourced from PubChem (CID 134573273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).