acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate

C13H19F3N2O5 — CID 68761549

IUPACacetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate
SMILESCC(=O)O.O=C(CN1CC2(CCNCC2)CC1=O)OC(F)(F)F
InChIInChI=1S/C11H15F3N2O3.C2H4O2/c12-11(13,14)19-9(18)6-16-7-10(5-8(16)17)1-3-15-4-2-10;1-2(3)4/h15H,1-7H2;1H3,(H,3,4)
InChIKeySKRSCEXVFZKKGN-UHFFFAOYSA-N
MW340.30 g/mol
LogP0.74
Rot. Bonds2

About acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate

acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate (PubChem CID 68761549) has the molecular formula C13H19F3N2O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate.

Molecular Properties

Compound Nameacetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate
PubChem CID68761549
Molecular FormulaC13H19F3N2O5
Molecular Weight340.30 g/mol
Exact Mass340.12
IUPAC Nameacetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate
SMILESCC(=O)O.O=C(CN1CC2(CCNCC2)CC1=O)OC(F)(F)F
InChIInChI=1S/C11H15F3N2O3.C2H4O2/c12-11(13,14)19-9(18)6-16-7-10(5-8(16)17)1-3-15-4-2-10;1-2(3)4/h15H,1-7H2;1H3,(H,3,4)
InChIKeySKRSCEXVFZKKGN-UHFFFAOYSA-N
XLogP0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate
CID 66644799
2-(3-Oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid
CID 66644801
2-(3-Oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid
CID 68761551
Methyl (3-oxo-2,8-diazaspiro[4.5]dec-2-yl)acetate trifluoromethyl acetic acid salt
CID 86662292
Methyl 3,3,3-trifluoro-2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate
CID 91275869
2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate
CID 143249439
Ethane;methyl 2-[[1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carbonyl]amino]acetate
CID 170587441
Methyl 2-[[1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carbonyl]amino]acetate
CID 170587448
2,8-Diazaspiro[4.5]decan-3-one 2,2,2-trifluoroacetate
CID 50998535
Trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate
CID 66644800
Trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate
CID 68761550
2-[(3-Methylpiperidine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257754

Frequently Asked Questions

What is the IUPAC name of acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate?
The IUPAC name of acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate (CID 68761549) is acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate.
What is the SMILES notation for acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate?
The canonical SMILES for acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate is CC(=O)O.O=C(CN1CC2(CCNCC2)CC1=O)OC(F)(F)F.
What is the InChIKey of acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate?
The InChIKey is SKRSCEXVFZKKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3.C2H4O2/c12-11(13,14)19-9(18)6-16-7-10(5-8(16)17)1-3-15-4-2-10;1-2(3)4/h15H,1-7H2;1H3,(H,3,4).
What are the key properties of acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate?
acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate has a molecular weight of 340.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate is sourced from PubChem (CID 68761549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).