4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine

C11H21F2NO — CID 58303633

IUPAC4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1(F)CCN(CCF)CC1
InChIInChI=1S/C11H21F2NO/c1-10(2)15-9-11(13)3-6-14(7-4-11)8-5-12/h10H,3-9H2,1-2H3
InChIKeyYRCFCGCXXKIPIR-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.18
Rot. Bonds5

About 4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine

4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine (PubChem CID 58303633) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
PubChem CID58303633
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1(F)CCN(CCF)CC1
InChIInChI=1S/C11H21F2NO/c1-10(2)15-9-11(13)3-6-14(7-4-11)8-5-12/h10H,3-9H2,1-2H3
InChIKeyYRCFCGCXXKIPIR-UHFFFAOYSA-N
XLogP2.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.18
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-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine (CID 58303633) is 4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine is CC(C)OCC1(F)CCN(CCF)CC1.
What is the InChIKey of 4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine?
The InChIKey is YRCFCGCXXKIPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-10(2)15-9-11(13)3-6-14(7-4-11)8-5-12/h10H,3-9H2,1-2H3.
What are the key properties of 4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine?
4-fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine has a molecular weight of 221.29 g/mol, XLogP of 2.18, 5 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-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 58303633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).