ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride

C8H22FN — CID 178147337

IUPACethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
SMILESCC.CC[C@@H]1CCCN1.F.[H][H]
InChIInChI=1S/C6H13N.C2H6.FH.H2/c1-2-6-4-3-5-7-6;1-2;;/h6-7H,2-5H2,1H3;1-2H3;2*1H/t6-;;;/m1.../s1
InChIKeyONWINNKEAJJYPF-VMESQJNGSA-N
MW151.27 g/mol
LogP2.57
Rot. Bonds1

About ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride

ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride (PubChem CID 178147337) has the molecular formula C8H22FN and a molecular weight of 151.27 g/mol. Its IUPAC name is ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride.

Molecular Properties

Compound Nameethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
PubChem CID178147337
Molecular FormulaC8H22FN
Molecular Weight151.27 g/mol
Exact Mass151.17
IUPAC Nameethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
SMILESCC.CC[C@@H]1CCCN1.F.[H][H]
InChIInChI=1S/C6H13N.C2H6.FH.H2/c1-2-6-4-3-5-7-6;1-2;;/h6-7H,2-5H2,1H3;1-2H3;2*1H/t6-;;;/m1.../s1
InChIKeyONWINNKEAJJYPF-VMESQJNGSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride?
The IUPAC name of ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride (CID 178147337) is ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride.
What is the SMILES notation for ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride?
The canonical SMILES for ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride is CC.CC[C@@H]1CCCN1.F.[H][H].
What is the InChIKey of ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride?
The InChIKey is ONWINNKEAJJYPF-VMESQJNGSA-N. The full InChI is InChI=1S/C6H13N.C2H6.FH.H2/c1-2-6-4-3-5-7-6;1-2;;/h6-7H,2-5H2,1H3;1-2H3;2*1H/t6-;;;/m1.../s1.
What are the key properties of ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride?
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride has a molecular weight of 151.27 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 178147337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).