7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one

C12H12FNO2 — CID 163293711

IUPAC7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCOc1cc(F)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C12H12FNO2/c1-16-7-5-8-10(9(13)6-7)14-11(15)12(8)3-2-4-12/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyUNWUDWAAPINTTA-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.21
Rot. Bonds1

About 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one

7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 163293711) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID163293711
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCOc1cc(F)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C12H12FNO2/c1-16-7-5-8-10(9(13)6-7)14-11(15)12(8)3-2-4-12/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyUNWUDWAAPINTTA-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one (CID 163293711) is 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one is COc1cc(F)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is UNWUDWAAPINTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-16-7-5-8-10(9(13)6-7)14-11(15)12(8)3-2-4-12/h5-6H,2-4H2,1H3,(H,14,15).
What are the key properties of 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one?
7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 221.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 163293711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).