(1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol

C10H17F2NO2 — CID 71506325

IUPAC(1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol
SMILESCC[C@H]1[C@H](O)[C@@H](O)[C@H]2N1C[C@@H](C)C2(F)F
InChIInChI=1S/C10H17F2NO2/c1-3-6-7(14)8(15)9-10(11,12)5(2)4-13(6)9/h5-9,14-15H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m1/s1
InChIKeyYGZWIWHJGIREOD-QMGXLNLGSA-N
MW221.25 g/mol
LogP0.46
Rot. Bonds1

About (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol

(1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol (PubChem CID 71506325) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol.

Molecular Properties

Compound Name(1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol
PubChem CID71506325
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol
SMILESCC[C@H]1[C@H](O)[C@@H](O)[C@H]2N1C[C@@H](C)C2(F)F
InChIInChI=1S/C10H17F2NO2/c1-3-6-7(14)8(15)9-10(11,12)5(2)4-13(6)9/h5-9,14-15H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m1/s1
InChIKeyYGZWIWHJGIREOD-QMGXLNLGSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol?
The IUPAC name of (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol (CID 71506325) is (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol.
What is the SMILES notation for (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol?
The canonical SMILES for (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol is CC[C@H]1[C@H](O)[C@@H](O)[C@H]2N1C[C@@H](C)C2(F)F.
What is the InChIKey of (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol?
The InChIKey is YGZWIWHJGIREOD-QMGXLNLGSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-3-6-7(14)8(15)9-10(11,12)5(2)4-13(6)9/h5-9,14-15H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m1/s1.
What are the key properties of (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol?
(1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol has a molecular weight of 221.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,6R,8R)-3-ethyl-7,7-difluoro-6-methyl-1,2,3,5,6,8-hexahydropyrrolizine-1,2-diol is sourced from PubChem (CID 71506325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).