(2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one

C20H26F3NO2 — CID 11508944

IUPAC(2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CC2(CCCCC2)CC1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H26F3NO2/c1-15-13-18(11-7-4-8-12-18)14-24(15)17(25)19(26-2,20(21,22)23)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3/t15?,19-/m1/s1
InChIKeyHJKCSPNQZWBAIQ-XCWJXAQQSA-N
MW369.43 g/mol
LogP4.66
Rot. Bonds3

About (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one

(2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one (PubChem CID 11508944) has the molecular formula C20H26F3NO2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one
PubChem CID11508944
Molecular FormulaC20H26F3NO2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CC2(CCCCC2)CC1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H26F3NO2/c1-15-13-18(11-7-4-8-12-18)14-24(15)17(25)19(26-2,20(21,22)23)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3/t15?,19-/m1/s1
InChIKeyHJKCSPNQZWBAIQ-XCWJXAQQSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one (CID 11508944) is (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one is CO[C@@](C(=O)N1CC2(CCCCC2)CC1C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one?
The InChIKey is HJKCSPNQZWBAIQ-XCWJXAQQSA-N. The full InChI is InChI=1S/C20H26F3NO2/c1-15-13-18(11-7-4-8-12-18)14-24(15)17(25)19(26-2,20(21,22)23)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3/t15?,19-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one?
(2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one has a molecular weight of 369.43 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methoxy-1-(3-methyl-2-azaspiro[4.5]decan-2-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 11508944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).