5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one

C10H7F2NO — CID 164588624

IUPAC5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(F)c(F)cc2C12CC2
InChIInChI=1S/C10H7F2NO/c11-6-3-5-8(4-7(6)12)13-9(14)10(5)1-2-10/h3-4H,1-2H2,(H,13,14)
InChIKeyQTCAFXNHTHYTCB-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.95
Rot. Bonds

About 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one

5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 164588624) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID164588624
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(F)c(F)cc2C12CC2
InChIInChI=1S/C10H7F2NO/c11-6-3-5-8(4-7(6)12)13-9(14)10(5)1-2-10/h3-4H,1-2H2,(H,13,14)
InChIKeyQTCAFXNHTHYTCB-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 164588624) is 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2cc(F)c(F)cc2C12CC2.
What is the InChIKey of 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is QTCAFXNHTHYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c11-6-3-5-8(4-7(6)12)13-9(14)10(5)1-2-10/h3-4H,1-2H2,(H,13,14).
What are the key properties of 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 195.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 164588624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).