4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine

C9H17F2NO — CID 88936124

IUPAC4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine
SMILESCOCC1(F)CCN(CCF)CC1
InChIInChI=1S/C9H17F2NO/c1-13-8-9(11)2-5-12(6-3-9)7-4-10/h2-8H2,1H3
InChIKeyGJFQINSNCZWDNE-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.41
Rot. Bonds4

About 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine

4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine (PubChem CID 88936124) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine
PubChem CID88936124
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine
SMILESCOCC1(F)CCN(CCF)CC1
InChIInChI=1S/C9H17F2NO/c1-13-8-9(11)2-5-12(6-3-9)7-4-10/h2-8H2,1H3
InChIKeyGJFQINSNCZWDNE-UHFFFAOYSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine?
The IUPAC name of 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine (CID 88936124) is 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine.
What is the SMILES notation for 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine?
The canonical SMILES for 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine is COCC1(F)CCN(CCF)CC1.
What is the InChIKey of 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine?
The InChIKey is GJFQINSNCZWDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-13-8-9(11)2-5-12(6-3-9)7-4-10/h2-8H2,1H3.
What are the key properties of 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine?
4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine has a molecular weight of 193.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine is sourced from PubChem (CID 88936124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).