2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone

C10H15F3N2O — CID 130681701

IUPAC2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
SMILESCN1CCC2(CCN(C(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C10H15F3N2O/c1-14-4-2-9(6-14)3-5-15(7-9)8(16)10(11,12)13/h2-7H2,1H3
InChIKeyJQYXYRFLFJWZSO-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.10
Rot. Bonds

About 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone

2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone (PubChem CID 130681701) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
PubChem CID130681701
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
SMILESCN1CCC2(CCN(C(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C10H15F3N2O/c1-14-4-2-9(6-14)3-5-15(7-9)8(16)10(11,12)13/h2-7H2,1H3
InChIKeyJQYXYRFLFJWZSO-UHFFFAOYSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone (CID 130681701) is 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone is CN1CCC2(CCN(C(=O)C(F)(F)F)C2)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone?
The InChIKey is JQYXYRFLFJWZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-14-4-2-9(6-14)3-5-15(7-9)8(16)10(11,12)13/h2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone?
2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone has a molecular weight of 236.24 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone is sourced from PubChem (CID 130681701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).