ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine

C9H20FN — CID 142151955

IUPACethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine
SMILESCC.CC1CN(C)CC1CF
InChIInChI=1S/C7H14FN.C2H6/c1-6-4-9(2)5-7(6)3-8;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyIUIUOGWKQOMFLD-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.18
Rot. Bonds1

About ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine

ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine (PubChem CID 142151955) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Nameethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine
PubChem CID142151955
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Nameethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine
SMILESCC.CC1CN(C)CC1CF
InChIInChI=1S/C7H14FN.C2H6/c1-6-4-9(2)5-7(6)3-8;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyIUIUOGWKQOMFLD-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine?
The IUPAC name of ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine (CID 142151955) is ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine.
What is the SMILES notation for ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine?
The canonical SMILES for ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine is CC.CC1CN(C)CC1CF.
What is the InChIKey of ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine?
The InChIKey is IUIUOGWKQOMFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN.C2H6/c1-6-4-9(2)5-7(6)3-8;1-2/h6-7H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine?
ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine has a molecular weight of 161.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine is sourced from PubChem (CID 142151955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).