6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one

C16H17F3N2O3 — CID 166945788

IUPAC6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ccc(C(F)(F)F)o1)C2
InChIInChI=1S/C16H17F3N2O3/c1-14(2)6-15(5-9(20)12(14)22)7-21(8-15)13(23)10-3-4-11(24-10)16(17,18)19/h3-5H,6-8,20H2,1-2H3
InChIKeyBZWGOFNPVLVQKY-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.58
Rot. Bonds1

About 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one

6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one (PubChem CID 166945788) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
PubChem CID166945788
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ccc(C(F)(F)F)o1)C2
InChIInChI=1S/C16H17F3N2O3/c1-14(2)6-15(5-9(20)12(14)22)7-21(8-15)13(23)10-3-4-11(24-10)16(17,18)19/h3-5H,6-8,20H2,1-2H3
InChIKeyBZWGOFNPVLVQKY-UHFFFAOYSA-N
XLogP2.58
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one?
The IUPAC name of 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one (CID 166945788) is 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one is CC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ccc(C(F)(F)F)o1)C2.
What is the InChIKey of 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one?
The InChIKey is BZWGOFNPVLVQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-14(2)6-15(5-9(20)12(14)22)7-21(8-15)13(23)10-3-4-11(24-10)16(17,18)19/h3-5H,6-8,20H2,1-2H3.
What are the key properties of 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one?
6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one has a molecular weight of 342.32 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 166945788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).