6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one

C19H22F2N2O2 — CID 166945829

IUPAC6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ccccc1CC(F)F)C2
InChIInChI=1S/C19H22F2N2O2/c1-18(2)9-19(8-14(22)16(18)24)10-23(11-19)17(25)13-6-4-3-5-12(13)7-15(20)21/h3-6,8,15H,7,9-11,22H2,1-2H3
InChIKeyUZTORFBIXFDNCV-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.78
Rot. Bonds3

About 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one

6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (PubChem CID 166945829) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
PubChem CID166945829
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ccccc1CC(F)F)C2
InChIInChI=1S/C19H22F2N2O2/c1-18(2)9-19(8-14(22)16(18)24)10-23(11-19)17(25)13-6-4-3-5-12(13)7-15(20)21/h3-6,8,15H,7,9-11,22H2,1-2H3
InChIKeyUZTORFBIXFDNCV-UHFFFAOYSA-N
XLogP2.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The IUPAC name of 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (CID 166945829) is 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is CC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ccccc1CC(F)F)C2.
What is the InChIKey of 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The InChIKey is UZTORFBIXFDNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-18(2)9-19(8-14(22)16(18)24)10-23(11-19)17(25)13-6-4-3-5-12(13)7-15(20)21/h3-6,8,15H,7,9-11,22H2,1-2H3.
What are the key properties of 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one has a molecular weight of 348.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 166945829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).