[(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C12H17F6NO2 — CID 170342557

IUPAC[(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(O[C@H]1CN2CCC[C@@]2(CO)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO2/c1-9(11(13,14)15,12(16,17)18)21-8-5-10(7-20)3-2-4-19(10)6-8/h8,20H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyWZXTTYQFGFLKGY-SCZZXKLOSA-N
MW321.26 g/mol
LogP2.49
Rot. Bonds3

About [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

[(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 170342557) has the molecular formula C12H17F6NO2 and a molecular weight of 321.26 g/mol. Its IUPAC name is [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID170342557
Molecular FormulaC12H17F6NO2
Molecular Weight321.26 g/mol
Exact Mass321.12
IUPAC Name[(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(O[C@H]1CN2CCC[C@@]2(CO)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO2/c1-9(11(13,14)15,12(16,17)18)21-8-5-10(7-20)3-2-4-19(10)6-8/h8,20H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyWZXTTYQFGFLKGY-SCZZXKLOSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-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 [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 170342557) is [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is CC(O[C@H]1CN2CCC[C@@]2(CO)C1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is WZXTTYQFGFLKGY-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H17F6NO2/c1-9(11(13,14)15,12(16,17)18)21-8-5-10(7-20)3-2-4-19(10)6-8/h8,20H,2-7H2,1H3/t8-,10+/m1/s1.
What are the key properties of [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 321.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 170342557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).