[(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate

C14H13F12NO3 — CID 170305387

IUPAC[(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OC[C@@]12CCCN1C[C@H](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C2)C(F)(F)F
InChIInChI=1S/C14H13F12NO3/c15-10(16,17)8(28)29-6-9-2-1-3-27(9)5-7(4-9)30-11(12(18,19)20,13(21,22)23)14(24,25)26/h7H,1-6H2/t7-,9+/m1/s1
InChIKeyGLPHAVOTQPVXHJ-APPZFPTMSA-N
MW471.24 g/mol
LogP4.14
Rot. Bonds4

About [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate

[(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate (PubChem CID 170305387) has the molecular formula C14H13F12NO3 and a molecular weight of 471.24 g/mol. Its IUPAC name is [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate
PubChem CID170305387
Molecular FormulaC14H13F12NO3
Molecular Weight471.24 g/mol
Exact Mass471.07
IUPAC Name[(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OC[C@@]12CCCN1C[C@H](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C2)C(F)(F)F
InChIInChI=1S/C14H13F12NO3/c15-10(16,17)8(28)29-6-9-2-1-3-27(9)5-7(4-9)30-11(12(18,19)20,13(21,22)23)14(24,25)26/h7H,1-6H2/t7-,9+/m1/s1
InChIKeyGLPHAVOTQPVXHJ-APPZFPTMSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.24
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate?
The IUPAC name of [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate (CID 170305387) is [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate?
The canonical SMILES for [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate is O=C(OC[C@@]12CCCN1C[C@H](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C2)C(F)(F)F.
What is the InChIKey of [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate?
The InChIKey is GLPHAVOTQPVXHJ-APPZFPTMSA-N. The full InChI is InChI=1S/C14H13F12NO3/c15-10(16,17)8(28)29-6-9-2-1-3-27(9)5-7(4-9)30-11(12(18,19)20,13(21,22)23)14(24,25)26/h7H,1-6H2/t7-,9+/m1/s1.
What are the key properties of [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate?
[(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate has a molecular weight of 471.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,8S)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 170305387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).