ethane;fluoromethane;3-fluoro-1-methylpyrrolidine

C8H19F2N — CID 177157428

IUPACethane;fluoromethane;3-fluoro-1-methylpyrrolidine
SMILESCC.CF.CN1CCC(F)C1
InChIInChI=1S/C5H10FN.C2H6.CH3F/c1-7-3-2-5(6)4-7;2*1-2/h5H,2-4H2,1H3;1-2H3;1H3
InChIKeyXXXUDTJXPJCSPG-UHFFFAOYSA-N
MW167.24 g/mol
LogP2.27
Rot. Bonds

About ethane;fluoromethane;3-fluoro-1-methylpyrrolidine

ethane;fluoromethane;3-fluoro-1-methylpyrrolidine (PubChem CID 177157428) has the molecular formula C8H19F2N and a molecular weight of 167.24 g/mol. Its IUPAC name is ethane;fluoromethane;3-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Nameethane;fluoromethane;3-fluoro-1-methylpyrrolidine
PubChem CID177157428
Molecular FormulaC8H19F2N
Molecular Weight167.24 g/mol
Exact Mass167.15
IUPAC Nameethane;fluoromethane;3-fluoro-1-methylpyrrolidine
SMILESCC.CF.CN1CCC(F)C1
InChIInChI=1S/C5H10FN.C2H6.CH3F/c1-7-3-2-5(6)4-7;2*1-2/h5H,2-4H2,1H3;1-2H3;1H3
InChIKeyXXXUDTJXPJCSPG-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;3-fluoro-1-methylpyrrolidine?
The IUPAC name of ethane;fluoromethane;3-fluoro-1-methylpyrrolidine (CID 177157428) is ethane;fluoromethane;3-fluoro-1-methylpyrrolidine.
What is the SMILES notation for ethane;fluoromethane;3-fluoro-1-methylpyrrolidine?
The canonical SMILES for ethane;fluoromethane;3-fluoro-1-methylpyrrolidine is CC.CF.CN1CCC(F)C1.
What is the InChIKey of ethane;fluoromethane;3-fluoro-1-methylpyrrolidine?
The InChIKey is XXXUDTJXPJCSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN.C2H6.CH3F/c1-7-3-2-5(6)4-7;2*1-2/h5H,2-4H2,1H3;1-2H3;1H3.
What are the key properties of ethane;fluoromethane;3-fluoro-1-methylpyrrolidine?
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine has a molecular weight of 167.24 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;3-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 177157428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).