butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine

C10H20FN — CID 169182016

IUPACbutane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine
SMILESCCCC.CN1CC/C(=C/F)C1
InChIInChI=1S/C6H10FN.C4H10/c1-8-3-2-6(4-7)5-8;1-3-4-2/h4H,2-3,5H2,1H3;3-4H2,1-2H3/b6-4-;
InChIKeyDDLXETXYYCQPKP-YHSAGPEESA-N
MW173.27 g/mol
LogP2.98
Rot. Bonds1

About butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine

butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine (PubChem CID 169182016) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine.

Molecular Properties

Compound Namebutane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine
PubChem CID169182016
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Namebutane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine
SMILESCCCC.CN1CC/C(=C/F)C1
InChIInChI=1S/C6H10FN.C4H10/c1-8-3-2-6(4-7)5-8;1-3-4-2/h4H,2-3,5H2,1H3;3-4H2,1-2H3/b6-4-;
InChIKeyDDLXETXYYCQPKP-YHSAGPEESA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine?
The IUPAC name of butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine (CID 169182016) is butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine.
What is the SMILES notation for butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine?
The canonical SMILES for butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine is CCCC.CN1CC/C(=C/F)C1.
What is the InChIKey of butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine?
The InChIKey is DDLXETXYYCQPKP-YHSAGPEESA-N. The full InChI is InChI=1S/C6H10FN.C4H10/c1-8-3-2-6(4-7)5-8;1-3-4-2/h4H,2-3,5H2,1H3;3-4H2,1-2H3/b6-4-;.
What are the key properties of butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine?
butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine is sourced from PubChem (CID 169182016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).