1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine

C15H37F2NO — CID 177009391

IUPAC1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine
SMILESCC.CC.CCC(F)F.CCOC.CN1CCCC1
InChIInChI=1S/C5H11N.C3H6F2.C3H8O.2C2H6/c1-6-4-2-3-5-6;1-2-3(4)5;1-3-4-2;2*1-2/h2-5H2,1H3;3H,2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWPDXNUIAPHMKCE-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.08
Rot. Bonds2

About 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine

1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine (PubChem CID 177009391) has the molecular formula C15H37F2NO and a molecular weight of 285.46 g/mol. Its IUPAC name is 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine.

Molecular Properties

Compound Name1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine
PubChem CID177009391
Molecular FormulaC15H37F2NO
Molecular Weight285.46 g/mol
Exact Mass285.28
IUPAC Name1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine
SMILESCC.CC.CCC(F)F.CCOC.CN1CCCC1
InChIInChI=1S/C5H11N.C3H6F2.C3H8O.2C2H6/c1-6-4-2-3-5-6;1-2-3(4)5;1-3-4-2;2*1-2/h2-5H2,1H3;3H,2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWPDXNUIAPHMKCE-UHFFFAOYSA-N
XLogP5.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;fluoromethane;methoxyethane;1-methylpyrrolidine
CID 166533465
methoxyethane;1-methylpyrrolidine
CID 90838943
methoxyethane;1-methylpyrrolidine;hydrofluoride;hydroiodide
CID 170772117
fluoro(methoxy)methane;1-methylpyrrolidine
CID 171530083
methoxymethane;1-methylpiperidine;propane
CID 143876527
ethane;bis(1-methylpyrrolidine)
CID 153385238
difluoromethanol;1-methylpyrrolidine
CID 172576990
butane;1-methylpyrrolidine
CID 143371006
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
ethanamine;ethane;1-methylpiperidine
CID 177317211
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine?
The IUPAC name of 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine (CID 177009391) is 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine.
What is the SMILES notation for 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine?
The canonical SMILES for 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine is CC.CC.CCC(F)F.CCOC.CN1CCCC1.
What is the InChIKey of 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine?
The InChIKey is WPDXNUIAPHMKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6F2.C3H8O.2C2H6/c1-6-4-2-3-5-6;1-2-3(4)5;1-3-4-2;2*1-2/h2-5H2,1H3;3H,2H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine?
1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine has a molecular weight of 285.46 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine is sourced from PubChem (CID 177009391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).