4-(ethoxymethyl)-3-fluoropiperidine

C8H16FNO — CID 90165369

IUPAC4-(ethoxymethyl)-3-fluoropiperidine
SMILESCCOCC1CCNCC1F
InChIInChI=1S/C8H16FNO/c1-2-11-6-7-3-4-10-5-8(7)9/h7-8,10H,2-6H2,1H3
InChIKeySNZSJUMEMDEOHQ-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.97
Rot. Bonds3

About 4-(ethoxymethyl)-3-fluoropiperidine

4-(ethoxymethyl)-3-fluoropiperidine (PubChem CID 90165369) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-(ethoxymethyl)-3-fluoropiperidine.

Molecular Properties

Compound Name4-(ethoxymethyl)-3-fluoropiperidine
PubChem CID90165369
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-(ethoxymethyl)-3-fluoropiperidine
SMILESCCOCC1CCNCC1F
InChIInChI=1S/C8H16FNO/c1-2-11-6-7-3-4-10-5-8(7)9/h7-8,10H,2-6H2,1H3
InChIKeySNZSJUMEMDEOHQ-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-3-fluoropiperidine?
The IUPAC name of 4-(ethoxymethyl)-3-fluoropiperidine (CID 90165369) is 4-(ethoxymethyl)-3-fluoropiperidine.
What is the SMILES notation for 4-(ethoxymethyl)-3-fluoropiperidine?
The canonical SMILES for 4-(ethoxymethyl)-3-fluoropiperidine is CCOCC1CCNCC1F.
What is the InChIKey of 4-(ethoxymethyl)-3-fluoropiperidine?
The InChIKey is SNZSJUMEMDEOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-11-6-7-3-4-10-5-8(7)9/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-(ethoxymethyl)-3-fluoropiperidine?
4-(ethoxymethyl)-3-fluoropiperidine has a molecular weight of 161.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-3-fluoropiperidine is sourced from PubChem (CID 90165369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).