(5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

C19H20F4N2O2 — CID 162442428

IUPAC(5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)C[C@]2(C=C(N)C1=O)CCN(C(=O)c1c(F)cccc1C(F)(F)F)C2
InChIInChI=1S/C19H20F4N2O2/c1-17(2)9-18(8-13(24)15(17)26)6-7-25(10-18)16(27)14-11(19(21,22)23)4-3-5-12(14)20/h3-5,8H,6-7,9-10,24H2,1-2H3/t18-/m1/s1
InChIKeyNIEHGTFIIUZPLC-GOSISDBHSA-N
MW384.37 g/mol
LogP3.52
Rot. Bonds1

About (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

(5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (PubChem CID 162442428) has the molecular formula C19H20F4N2O2 and a molecular weight of 384.37 g/mol. Its IUPAC name is (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name(5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
PubChem CID162442428
Molecular FormulaC19H20F4N2O2
Molecular Weight384.37 g/mol
Exact Mass384.15
IUPAC Name(5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)C[C@]2(C=C(N)C1=O)CCN(C(=O)c1c(F)cccc1C(F)(F)F)C2
InChIInChI=1S/C19H20F4N2O2/c1-17(2)9-18(8-13(24)15(17)26)6-7-25(10-18)16(27)14-11(19(21,22)23)4-3-5-12(14)20/h3-5,8H,6-7,9-10,24H2,1-2H3/t18-/m1/s1
InChIKeyNIEHGTFIIUZPLC-GOSISDBHSA-N
XLogP3.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The IUPAC name of (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (CID 162442428) is (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is CC1(C)C[C@]2(C=C(N)C1=O)CCN(C(=O)c1c(F)cccc1C(F)(F)F)C2.
What is the InChIKey of (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The InChIKey is NIEHGTFIIUZPLC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F4N2O2/c1-17(2)9-18(8-13(24)15(17)26)6-7-25(10-18)16(27)14-11(19(21,22)23)4-3-5-12(14)20/h3-5,8H,6-7,9-10,24H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
(5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one has a molecular weight of 384.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 162442428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).