[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate

C14H17F6NO3 — CID 171774382

IUPAC[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1CC12CNCCC2OCC1(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C14H17F6NO3/c15-13(16,17)10(22)24-9-5-12(9)6-21-4-1-8(12)23-7-11(2-3-11)14(18,19)20/h8-9,21H,1-7H2
InChIKeyKBHPSZPJFRUNFR-UHFFFAOYSA-N
MW361.28 g/mol
LogP2.57
Rot. Bonds4

About [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate

[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 171774382) has the molecular formula C14H17F6NO3 and a molecular weight of 361.28 g/mol. Its IUPAC name is [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate
PubChem CID171774382
Molecular FormulaC14H17F6NO3
Molecular Weight361.28 g/mol
Exact Mass361.11
IUPAC Name[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1CC12CNCCC2OCC1(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C14H17F6NO3/c15-13(16,17)10(22)24-9-5-12(9)6-21-4-1-8(12)23-7-11(2-3-11)14(18,19)20/h8-9,21H,1-7H2
InChIKeyKBHPSZPJFRUNFR-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

[4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate
CID 142690231
6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
CID 155670355
(2-hydroxy-2-methylcyclohexyl) 2,2,2-trifluoroacetate
CID 140961573
[1-(trifluoromethyl)cyclopropyl]methyl carbamate
CID 151400404
5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate
CID 156635663
(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate
CID 162512096
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155848041
methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate
CID 131412933
N-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 130944302
(2,2,2-trifluoroacetyl) 4-fluoropiperidine-4-carboxylate
CID 174230111
6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 90185681

Frequently Asked Questions

What is the IUPAC name of [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate (CID 171774382) is [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate is O=C(OC1CC12CNCCC2OCC1(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is KBHPSZPJFRUNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6NO3/c15-13(16,17)10(22)24-9-5-12(9)6-21-4-1-8(12)23-7-11(2-3-11)14(18,19)20/h8-9,21H,1-7H2.
What are the key properties of [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate?
[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 361.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 171774382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).