6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one

C12H12FNO — CID 67232508

IUPAC6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2cc(F)ccc2C12CCCC2
InChIInChI=1S/C12H12FNO/c13-8-3-4-9-10(7-8)14-11(15)12(9)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyAQYKLHUITHTXQI-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.59
Rot. Bonds

About 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one

6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one (PubChem CID 67232508) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
PubChem CID67232508
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2cc(F)ccc2C12CCCC2
InChIInChI=1S/C12H12FNO/c13-8-3-4-9-10(7-8)14-11(15)12(9)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyAQYKLHUITHTXQI-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one?
The IUPAC name of 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one (CID 67232508) is 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one?
The canonical SMILES for 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one is O=C1Nc2cc(F)ccc2C12CCCC2.
What is the InChIKey of 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one?
The InChIKey is AQYKLHUITHTXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-8-3-4-9-10(7-8)14-11(15)12(9)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one?
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one has a molecular weight of 205.23 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 67232508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).