ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine

C12H26FN — CID 177059837

IUPACethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine
SMILESCC.CCCC1(CC)CC(C)(F)CN1
InChIInChI=1S/C10H20FN.C2H6/c1-4-6-10(5-2)7-9(3,11)8-12-10;1-2/h12H,4-8H2,1-3H3;1-2H3
InChIKeyYCVCDKKZQNMVCW-UHFFFAOYSA-N
MW203.34 g/mol
LogP3.68
Rot. Bonds3

About ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine

ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine (PubChem CID 177059837) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine.

Molecular Properties

Compound Nameethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine
PubChem CID177059837
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC Nameethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine
SMILESCC.CCCC1(CC)CC(C)(F)CN1
InChIInChI=1S/C10H20FN.C2H6/c1-4-6-10(5-2)7-9(3,11)8-12-10;1-2/h12H,4-8H2,1-3H3;1-2H3
InChIKeyYCVCDKKZQNMVCW-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine?
The IUPAC name of ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine (CID 177059837) is ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine.
What is the SMILES notation for ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine?
The canonical SMILES for ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine is CC.CCCC1(CC)CC(C)(F)CN1.
What is the InChIKey of ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine?
The InChIKey is YCVCDKKZQNMVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN.C2H6/c1-4-6-10(5-2)7-9(3,11)8-12-10;1-2/h12H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine?
ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine has a molecular weight of 203.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine is sourced from PubChem (CID 177059837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).