(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one

C21H26F6N2O4 — CID 167819278

IUPAC(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
SMILESC[C@H](CC(F)(F)F)C(=O)N1CCC(O)(COc2ccc(OC(F)(F)F)cn2)C2(CCCC2)C1
InChIInChI=1S/C21H26F6N2O4/c1-14(10-20(22,23)24)17(30)29-9-8-19(31,18(12-29)6-2-3-7-18)13-32-16-5-4-15(11-28-16)33-21(25,26)27/h4-5,11,14,31H,2-3,6-10,12-13H2,1H3/t14-,19?/m1/s1
InChIKeyUFWZYXDXHGIUHZ-MJTSIZKDSA-N
MW484.44 g/mol
LogP4.47
Rot. Bonds6

About (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one

(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one (PubChem CID 167819278) has the molecular formula C21H26F6N2O4 and a molecular weight of 484.44 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
PubChem CID167819278
Molecular FormulaC21H26F6N2O4
Molecular Weight484.44 g/mol
Exact Mass484.18
IUPAC Name(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
SMILESC[C@H](CC(F)(F)F)C(=O)N1CCC(O)(COc2ccc(OC(F)(F)F)cn2)C2(CCCC2)C1
InChIInChI=1S/C21H26F6N2O4/c1-14(10-20(22,23)24)17(30)29-9-8-19(31,18(12-29)6-2-3-7-18)13-32-16-5-4-15(11-28-16)33-21(25,26)27/h4-5,11,14,31H,2-3,6-10,12-13H2,1H3/t14-,19?/m1/s1
InChIKeyUFWZYXDXHGIUHZ-MJTSIZKDSA-N
XLogP4.47
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one?
The IUPAC name of (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one (CID 167819278) is (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one.
What is the SMILES notation for (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one?
The canonical SMILES for (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one is C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(COc2ccc(OC(F)(F)F)cn2)C2(CCCC2)C1.
What is the InChIKey of (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one?
The InChIKey is UFWZYXDXHGIUHZ-MJTSIZKDSA-N. The full InChI is InChI=1S/C21H26F6N2O4/c1-14(10-20(22,23)24)17(30)29-9-8-19(31,18(12-29)6-2-3-7-18)13-32-16-5-4-15(11-28-16)33-21(25,26)27/h4-5,11,14,31H,2-3,6-10,12-13H2,1H3/t14-,19?/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one?
(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one has a molecular weight of 484.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one is sourced from PubChem (CID 167819278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).