ethane;pyrrolidine;hydrofluoride

C6H16FN — CID 143607064

IUPACethane;pyrrolidine;hydrofluoride
SMILESC1CCNC1.CC.F
InChIInChI=1S/C4H9N.C2H6.FH/c1-2-4-5-3-1;1-2;/h5H,1-4H2;1-2H3;1H
InChIKeyBLJVATMTLJRIJG-UHFFFAOYSA-N
MW121.20 g/mol
LogP1.55
Rot. Bonds

About ethane;pyrrolidine;hydrofluoride

ethane;pyrrolidine;hydrofluoride (PubChem CID 143607064) has the molecular formula C6H16FN and a molecular weight of 121.20 g/mol. Its IUPAC name is ethane;pyrrolidine;hydrofluoride.

Molecular Properties

Compound Nameethane;pyrrolidine;hydrofluoride
PubChem CID143607064
Molecular FormulaC6H16FN
Molecular Weight121.20 g/mol
Exact Mass121.13
IUPAC Nameethane;pyrrolidine;hydrofluoride
SMILESC1CCNC1.CC.F
InChIInChI=1S/C4H9N.C2H6.FH/c1-2-4-5-3-1;1-2;/h5H,1-4H2;1-2H3;1H
InChIKeyBLJVATMTLJRIJG-UHFFFAOYSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;pyrrolidine;hydrofluoride?
The IUPAC name of ethane;pyrrolidine;hydrofluoride (CID 143607064) is ethane;pyrrolidine;hydrofluoride.
What is the SMILES notation for ethane;pyrrolidine;hydrofluoride?
The canonical SMILES for ethane;pyrrolidine;hydrofluoride is C1CCNC1.CC.F.
What is the InChIKey of ethane;pyrrolidine;hydrofluoride?
The InChIKey is BLJVATMTLJRIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C2H6.FH/c1-2-4-5-3-1;1-2;/h5H,1-4H2;1-2H3;1H.
What are the key properties of ethane;pyrrolidine;hydrofluoride?
ethane;pyrrolidine;hydrofluoride has a molecular weight of 121.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrrolidine;hydrofluoride is sourced from PubChem (CID 143607064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).