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

C10H8FNO — CID 72698788

IUPAC6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(F)ccc2C12CC2
InChIInChI=1S/C10H8FNO/c11-6-1-2-7-8(5-6)12-9(13)10(7)3-4-10/h1-2,5H,3-4H2,(H,12,13)
InChIKeyMGSBFWIIFWQXSG-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.81
Rot. Bonds

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

6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 72698788) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID72698788
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(F)ccc2C12CC2
InChIInChI=1S/C10H8FNO/c11-6-1-2-7-8(5-6)12-9(13)10(7)3-4-10/h1-2,5H,3-4H2,(H,12,13)
InChIKeyMGSBFWIIFWQXSG-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.81
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'-cyclopropane]-2-one?
The IUPAC name of 6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 72698788) is 6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2cc(F)ccc2C12CC2.
What is the InChIKey of 6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is MGSBFWIIFWQXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-6-1-2-7-8(5-6)12-9(13)10(7)3-4-10/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 177.18 g/mol, XLogP of 1.81, 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'-cyclopropane]-2-one is sourced from PubChem (CID 72698788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).