(5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one

C17H20F3NO4 — CID 66546475

IUPAC(5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCO[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O
InChIInChI=1S/C17H20F3NO4/c1-24-14-10-16(7-6-13(14)22)8-9-21(15(16)23)11-2-4-12(5-3-11)25-17(18,19)20/h2-5,13-14,22H,6-10H2,1H3/t13-,14-,16-/m1/s1
InChIKeySUYFLKVYVRWKMI-IIAWOOMASA-N
MW359.34 g/mol
LogP2.87
Rot. Bonds3

About (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one

(5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 66546475) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID66546475
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name(5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCO[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O
InChIInChI=1S/C17H20F3NO4/c1-24-14-10-16(7-6-13(14)22)8-9-21(15(16)23)11-2-4-12(5-3-11)25-17(18,19)20/h2-5,13-14,22H,6-10H2,1H3/t13-,14-,16-/m1/s1
InChIKeySUYFLKVYVRWKMI-IIAWOOMASA-N
XLogP2.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one (CID 66546475) is (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one is CO[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O.
What is the InChIKey of (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is SUYFLKVYVRWKMI-IIAWOOMASA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-24-14-10-16(7-6-13(14)22)8-9-21(15(16)23)11-2-4-12(5-3-11)25-17(18,19)20/h2-5,13-14,22H,6-10H2,1H3/t13-,14-,16-/m1/s1.
What are the key properties of (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
(5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 359.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R,8R)-8-hydroxy-7-methoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 66546475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).