3-(3-fluoro-3-methylbutoxy)piperidine

C10H20FNO — CID 84662228

IUPAC3-(3-fluoro-3-methylbutoxy)piperidine
SMILESCC(C)(F)CCOC1CCCNC1
InChIInChI=1S/C10H20FNO/c1-10(2,11)5-7-13-9-4-3-6-12-8-9/h9,12H,3-8H2,1-2H3
InChIKeyKKKVRLAPPDFCCA-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds4

About 3-(3-fluoro-3-methylbutoxy)piperidine

3-(3-fluoro-3-methylbutoxy)piperidine (PubChem CID 84662228) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-(3-fluoro-3-methylbutoxy)piperidine.

Molecular Properties

Compound Name3-(3-fluoro-3-methylbutoxy)piperidine
PubChem CID84662228
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-(3-fluoro-3-methylbutoxy)piperidine
SMILESCC(C)(F)CCOC1CCCNC1
InChIInChI=1S/C10H20FNO/c1-10(2,11)5-7-13-9-4-3-6-12-8-9/h9,12H,3-8H2,1-2H3
InChIKeyKKKVRLAPPDFCCA-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-3-methylbutoxy)piperidine?
The IUPAC name of 3-(3-fluoro-3-methylbutoxy)piperidine (CID 84662228) is 3-(3-fluoro-3-methylbutoxy)piperidine.
What is the SMILES notation for 3-(3-fluoro-3-methylbutoxy)piperidine?
The canonical SMILES for 3-(3-fluoro-3-methylbutoxy)piperidine is CC(C)(F)CCOC1CCCNC1.
What is the InChIKey of 3-(3-fluoro-3-methylbutoxy)piperidine?
The InChIKey is KKKVRLAPPDFCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(2,11)5-7-13-9-4-3-6-12-8-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-(3-fluoro-3-methylbutoxy)piperidine?
3-(3-fluoro-3-methylbutoxy)piperidine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-3-methylbutoxy)piperidine is sourced from PubChem (CID 84662228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).