[(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C13H16F9NO2 — CID 169255290

IUPAC[(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESOC[C@@]12CCCN1[C@H](COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC2
InChIInChI=1S/C13H16F9NO2/c14-11(15,16)10(12(17,18)19,13(20,21)22)25-6-8-2-4-9(7-24)3-1-5-23(8)9/h8,24H,1-7H2/t8-,9-/m0/s1
InChIKeyRAQZRSFPHMJORM-IUCAKERBSA-N
MW389.26 g/mol
LogP3.42
Rot. Bonds4

About [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

[(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 169255290) has the molecular formula C13H16F9NO2 and a molecular weight of 389.26 g/mol. Its IUPAC name is [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID169255290
Molecular FormulaC13H16F9NO2
Molecular Weight389.26 g/mol
Exact Mass389.10
IUPAC Name[(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESOC[C@@]12CCCN1[C@H](COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC2
InChIInChI=1S/C13H16F9NO2/c14-11(15,16)10(12(17,18)19,13(20,21)22)25-6-8-2-4-9(7-24)3-1-5-23(8)9/h8,24H,1-7H2/t8-,9-/m0/s1
InChIKeyRAQZRSFPHMJORM-IUCAKERBSA-N
XLogP3.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 169255290) is [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is OC[C@@]12CCCN1[C@H](COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC2.
What is the InChIKey of [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is RAQZRSFPHMJORM-IUCAKERBSA-N. The full InChI is InChI=1S/C13H16F9NO2/c14-11(15,16)10(12(17,18)19,13(20,21)22)25-6-8-2-4-9(7-24)3-1-5-23(8)9/h8,24H,1-7H2/t8-,9-/m0/s1.
What are the key properties of [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 389.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 169255290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).