(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate

C13H12FNO2 — CID 91605259

IUPAC(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate
SMILESCC(=O)OC1CCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C13H12FNO2/c1-7(16)17-12-5-3-9-10-6-8(14)2-4-11(10)15-13(9)12/h2,4,6,12,15H,3,5H2,1H3
InChIKeyIPSUQZSPFJOWHD-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.86
Rot. Bonds1

About (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate

(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate (PubChem CID 91605259) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate.

Molecular Properties

Compound Name(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate
PubChem CID91605259
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate
SMILESCC(=O)OC1CCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C13H12FNO2/c1-7(16)17-12-5-3-9-10-6-8(14)2-4-11(10)15-13(9)12/h2,4,6,12,15H,3,5H2,1H3
InChIKeyIPSUQZSPFJOWHD-UHFFFAOYSA-N
XLogP2.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate?
The IUPAC name of (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate (CID 91605259) is (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate.
What is the SMILES notation for (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate?
The canonical SMILES for (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate is CC(=O)OC1CCc2c1[nH]c1ccc(F)cc21.
What is the InChIKey of (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate?
The InChIKey is IPSUQZSPFJOWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-7(16)17-12-5-3-9-10-6-8(14)2-4-11(10)15-13(9)12/h2,4,6,12,15H,3,5H2,1H3.
What are the key properties of (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate?
(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate has a molecular weight of 233.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate is sourced from PubChem (CID 91605259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).