3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole

C16H12F7NO — CID 102360310

IUPAC3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole
SMILESCOc1ccc2c(c1)c(C1=C(F)C(F)(F)C(F)(F)C1(F)F)c(C)n2C
InChIInChI=1S/C16H12F7NO/c1-7-11(9-6-8(25-3)4-5-10(9)24(7)2)12-13(17)15(20,21)16(22,23)14(12,18)19/h4-6H,1-3H3
InChIKeyRGTRVMXTVWRZNC-UHFFFAOYSA-N
MW367.26 g/mol
LogP5.10
Rot. Bonds2

About 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole

3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole (PubChem CID 102360310) has the molecular formula C16H12F7NO and a molecular weight of 367.26 g/mol. Its IUPAC name is 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole.

Molecular Properties

Compound Name3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole
PubChem CID102360310
Molecular FormulaC16H12F7NO
Molecular Weight367.26 g/mol
Exact Mass367.08
IUPAC Name3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole
SMILESCOc1ccc2c(c1)c(C1=C(F)C(F)(F)C(F)(F)C1(F)F)c(C)n2C
InChIInChI=1S/C16H12F7NO/c1-7-11(9-6-8(25-3)4-5-10(9)24(7)2)12-13(17)15(20,21)16(22,23)14(12,18)19/h4-6H,1-3H3
InChIKeyRGTRVMXTVWRZNC-UHFFFAOYSA-N
XLogP5.10
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.26
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole?
The IUPAC name of 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole (CID 102360310) is 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole.
What is the SMILES notation for 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole?
The canonical SMILES for 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole is COc1ccc2c(c1)c(C1=C(F)C(F)(F)C(F)(F)C1(F)F)c(C)n2C.
What is the InChIKey of 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole?
The InChIKey is RGTRVMXTVWRZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F7NO/c1-7-11(9-6-8(25-3)4-5-10(9)24(7)2)12-13(17)15(20,21)16(22,23)14(12,18)19/h4-6H,1-3H3.
What are the key properties of 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole?
3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole has a molecular weight of 367.26 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methoxy-1,2-dimethylindole is sourced from PubChem (CID 102360310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).