1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one

C13H12F3NO — CID 157033735

IUPAC1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
SMILESO=C1N(CCC(F)(F)F)c2ccccc2C12CC2
InChIInChI=1S/C13H12F3NO/c14-13(15,16)7-8-17-10-4-2-1-3-9(10)12(5-6-12)11(17)18/h1-4H,5-8H2
InChIKeyVNJNQEBHTCYXMO-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.02
Rot. Bonds2

About 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one

1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 157033735) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID157033735
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
SMILESO=C1N(CCC(F)(F)F)c2ccccc2C12CC2
InChIInChI=1S/C13H12F3NO/c14-13(15,16)7-8-17-10-4-2-1-3-9(10)12(5-6-12)11(17)18/h1-4H,5-8H2
InChIKeyVNJNQEBHTCYXMO-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one (CID 157033735) is 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one is O=C1N(CCC(F)(F)F)c2ccccc2C12CC2.
What is the InChIKey of 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is VNJNQEBHTCYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)7-8-17-10-4-2-1-3-9(10)12(5-6-12)11(17)18/h1-4H,5-8H2.
What are the key properties of 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one?
1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 255.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 157033735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).