ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine

C13H28FNO — CID 177010065

IUPACethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine
SMILESCC.CC.COCC1CN(C)CC/C1=C\F
InChIInChI=1S/C9H16FNO.2C2H6/c1-11-4-3-8(5-10)9(6-11)7-12-2;2*1-2/h5,9H,3-4,6-7H2,1-2H3;2*1-2H3/b8-5+;;
InChIKeyRUFQTFHWUYYXQI-RMZRELHQSA-N
MW233.37 g/mol
LogP3.49
Rot. Bonds2

About ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine

ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine (PubChem CID 177010065) has the molecular formula C13H28FNO and a molecular weight of 233.37 g/mol. Its IUPAC name is ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine.

Molecular Properties

Compound Nameethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine
PubChem CID177010065
Molecular FormulaC13H28FNO
Molecular Weight233.37 g/mol
Exact Mass233.22
IUPAC Nameethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine
SMILESCC.CC.COCC1CN(C)CC/C1=C\F
InChIInChI=1S/C9H16FNO.2C2H6/c1-11-4-3-8(5-10)9(6-11)7-12-2;2*1-2/h5,9H,3-4,6-7H2,1-2H3;2*1-2H3/b8-5+;;
InChIKeyRUFQTFHWUYYXQI-RMZRELHQSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine?
The IUPAC name of ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine (CID 177010065) is ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine.
What is the SMILES notation for ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine?
The canonical SMILES for ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine is CC.CC.COCC1CN(C)CC/C1=C\F.
What is the InChIKey of ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine?
The InChIKey is RUFQTFHWUYYXQI-RMZRELHQSA-N. The full InChI is InChI=1S/C9H16FNO.2C2H6/c1-11-4-3-8(5-10)9(6-11)7-12-2;2*1-2/h5,9H,3-4,6-7H2,1-2H3;2*1-2H3/b8-5+;;.
What are the key properties of ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine?
ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine has a molecular weight of 233.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine is sourced from PubChem (CID 177010065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).