[4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate

C14H16F6O4 — CID 142690231

IUPAC[4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCCC12CCCC2OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H16F6O4/c15-13(16,17)10(21)23-8-4-1-2-6-12(8)7-3-5-9(12)24-11(22)14(18,19)20/h8-9H,1-7H2
InChIKeyXNYAOKFTLBJPFR-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.68
Rot. Bonds2

About [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate

[4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate (PubChem CID 142690231) has the molecular formula C14H16F6O4 and a molecular weight of 362.27 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate
PubChem CID142690231
Molecular FormulaC14H16F6O4
Molecular Weight362.27 g/mol
Exact Mass362.10
IUPAC Name[4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCCC12CCCC2OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H16F6O4/c15-13(16,17)10(21)23-8-4-1-2-6-12(8)7-3-5-9(12)24-11(22)14(18,19)20/h8-9H,1-7H2
InChIKeyXNYAOKFTLBJPFR-UHFFFAOYSA-N
XLogP3.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

(2-hydroxy-2-methylcyclohexyl) 2,2,2-trifluoroacetate
CID 140961573
[(1R,2S)-2-amino-3,3-difluorocyclohexyl] 2,2,2-trifluoroacetate
CID 172554528
(4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate
CID 91692563
[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate
CID 171774382
2-[[3,3-bis(hydroxymethyl)-1,5-dithiaspiro[5.5]undecan-11-yl]oxycarbonyl]-1,1,1,3,3,3-hexafluoropropane-2-sulfonic acid
CID 118265463
cyclohept-2-en-1-yl 2,2,2-trifluoroacetate
CID 10465632
1,1-difluoro-2-oxo-2-[[3-[(2,2,2-trifluoroacetyl)oxymethyl]-1,4-dithiaspiro[4.4]nonan-9-yl]oxy]ethanesulfonic acid
CID 118265183
spiro[4.4]nonan-4-yl trifluoromethanesulfonate
CID 130702889
6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
CID 155670355
1-O-cyclopentyl 4-O-(1-methylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372419
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate (CID 142690231) is [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate is O=C(OC1CCCCC12CCCC2OC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate?
The InChIKey is XNYAOKFTLBJPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6O4/c15-13(16,17)10(21)23-8-4-1-2-6-12(8)7-3-5-9(12)24-11(22)14(18,19)20/h8-9H,1-7H2.
What are the key properties of [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate?
[4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate has a molecular weight of 362.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 142690231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).