3,3-difluoro-1-methylpyrrolidine;ethane;ethanol

C9H21F2NO — CID 165405847

IUPAC3,3-difluoro-1-methylpyrrolidine;ethane;ethanol
SMILESCC.CCO.CN1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N.C2H6O.C2H6/c1-8-3-2-5(6,7)4-8;1-2-3;1-2/h2-4H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyQPEHQZSUBUHNMT-UHFFFAOYSA-N
MW197.27 g/mol
LogP1.98
Rot. Bonds

About 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol

3,3-difluoro-1-methylpyrrolidine;ethane;ethanol (PubChem CID 165405847) has the molecular formula C9H21F2NO and a molecular weight of 197.27 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol.

Molecular Properties

Compound Name3,3-difluoro-1-methylpyrrolidine;ethane;ethanol
PubChem CID165405847
Molecular FormulaC9H21F2NO
Molecular Weight197.27 g/mol
Exact Mass197.16
IUPAC Name3,3-difluoro-1-methylpyrrolidine;ethane;ethanol
SMILESCC.CCO.CN1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N.C2H6O.C2H6/c1-8-3-2-5(6,7)4-8;1-2-3;1-2/h2-4H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyQPEHQZSUBUHNMT-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol?
The IUPAC name of 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol (CID 165405847) is 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol.
What is the SMILES notation for 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol?
The canonical SMILES for 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol is CC.CCO.CN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol?
The InChIKey is QPEHQZSUBUHNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C2H6O.C2H6/c1-8-3-2-5(6,7)4-8;1-2-3;1-2/h2-4H2,1H3;3H,2H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol?
3,3-difluoro-1-methylpyrrolidine;ethane;ethanol has a molecular weight of 197.27 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpyrrolidine;ethane;ethanol is sourced from PubChem (CID 165405847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).