ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine

C10H21F2N — CID 144847221

IUPACethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine
SMILESCC.CCN1CC(C)(C)C(F)(F)C1
InChIInChI=1S/C8H15F2N.C2H6/c1-4-11-5-7(2,3)8(9,10)6-11;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyXTSAQBUPSDYQSX-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.01
Rot. Bonds1

About ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine

ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine (PubChem CID 144847221) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine.

Molecular Properties

Compound Nameethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine
PubChem CID144847221
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Nameethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine
SMILESCC.CCN1CC(C)(C)C(F)(F)C1
InChIInChI=1S/C8H15F2N.C2H6/c1-4-11-5-7(2,3)8(9,10)6-11;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyXTSAQBUPSDYQSX-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine?
The IUPAC name of ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine (CID 144847221) is ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine.
What is the SMILES notation for ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine?
The canonical SMILES for ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine is CC.CCN1CC(C)(C)C(F)(F)C1.
What is the InChIKey of ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine?
The InChIKey is XTSAQBUPSDYQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.C2H6/c1-4-11-5-7(2,3)8(9,10)6-11;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine?
ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine has a molecular weight of 193.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine is sourced from PubChem (CID 144847221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).