propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate

C16H19F2NO3 — CID 134573269

IUPACpropyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
SMILESCCCOC(=O)n1ccc2c(F)c(OC(C)(C)C)c(F)cc21
InChIInChI=1S/C16H19F2NO3/c1-5-8-21-15(20)19-7-6-10-12(19)9-11(17)14(13(10)18)22-16(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyHMEZNXHWHFDLDK-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.49
Rot. Bonds3

About propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate

propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate (PubChem CID 134573269) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate.

Molecular Properties

Compound Namepropyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
PubChem CID134573269
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Namepropyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
SMILESCCCOC(=O)n1ccc2c(F)c(OC(C)(C)C)c(F)cc21
InChIInChI=1S/C16H19F2NO3/c1-5-8-21-15(20)19-7-6-10-12(19)9-11(17)14(13(10)18)22-16(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyHMEZNXHWHFDLDK-UHFFFAOYSA-N
XLogP4.49
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

propyl 4,7-difluoro-5-methoxyindole-1-carboxylate
CID 134576019
propyl 5-ethoxy-4,7-difluoroindole-1-carboxylate
CID 122520634
ethyl 4-fluoroindole-1-carboxylate
CID 137467243
propan-2-yl 4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
CID 134573273
ethyl 4,7-difluoro-5-methoxyindole-1-carboxylate
CID 122520699
1,2,3,5-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167118771
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide
CID 75502045
propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate
CID 122520618
tert-butyl 4-propylindole-1-carboxylate
CID 70451339
1-O-tert-butyl 6-O-ethyl 4-formylindole-1,6-dicarboxylate
CID 59849612
1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 166607816
ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate
CID 57282029

Frequently Asked Questions

What is the IUPAC name of propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
The IUPAC name of propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate (CID 134573269) is propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate.
What is the SMILES notation for propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
The canonical SMILES for propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate is CCCOC(=O)n1ccc2c(F)c(OC(C)(C)C)c(F)cc21.
What is the InChIKey of propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
The InChIKey is HMEZNXHWHFDLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-5-8-21-15(20)19-7-6-10-12(19)9-11(17)14(13(10)18)22-16(2,3)4/h6-7,9H,5,8H2,1-4H3.
What are the key properties of propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate has a molecular weight of 311.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate is sourced from PubChem (CID 134573269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).