1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone

C17H17F6NO — CID 159609611

IUPAC1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C17H17F6NO/c18-16(19,20)11-5-10(6-12(8-11)17(21,22)23)7-14(25)13-9-15(13)1-3-24-4-2-15/h5-6,8,13,24H,1-4,7,9H2/t13-/m0/s1
InChIKeyVFFQUYVAYKAIPO-ZDUSSCGKSA-N
MW365.32 g/mol
LogP4.23
Rot. Bonds3

About 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone

1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone (PubChem CID 159609611) has the molecular formula C17H17F6NO and a molecular weight of 365.32 g/mol. Its IUPAC name is 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone
PubChem CID159609611
Molecular FormulaC17H17F6NO
Molecular Weight365.32 g/mol
Exact Mass365.12
IUPAC Name1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C17H17F6NO/c18-16(19,20)11-5-10(6-12(8-11)17(21,22)23)7-14(25)13-9-15(13)1-3-24-4-2-15/h5-6,8,13,24H,1-4,7,9H2/t13-/m0/s1
InChIKeyVFFQUYVAYKAIPO-ZDUSSCGKSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622121
1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116573221
N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 99937074
1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one
CID 116573115
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 116573207
1-(6-azaspiro[2.5]octan-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116573132
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116573215
1-(6-azaspiro[2.5]octan-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116573104
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 86644328
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone (CID 159609611) is 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone is O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC12CCNCC2.
What is the InChIKey of 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone?
The InChIKey is VFFQUYVAYKAIPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17F6NO/c18-16(19,20)11-5-10(6-12(8-11)17(21,22)23)7-14(25)13-9-15(13)1-3-24-4-2-15/h5-6,8,13,24H,1-4,7,9H2/t13-/m0/s1.
What are the key properties of 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone?
1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone has a molecular weight of 365.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159609611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).