3,3-difluoro-1-(2-methoxyethyl)piperidine

C8H15F2NO — CID 58335356

IUPAC3,3-difluoro-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-12-6-5-11-4-2-3-8(9,10)7-11/h2-7H2,1H3
InChIKeyVNKKFAQSABOAGW-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds3

About 3,3-difluoro-1-(2-methoxyethyl)piperidine

3,3-difluoro-1-(2-methoxyethyl)piperidine (PubChem CID 58335356) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methoxyethyl)piperidine
PubChem CID58335356
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3,3-difluoro-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-12-6-5-11-4-2-3-8(9,10)7-11/h2-7H2,1H3
InChIKeyVNKKFAQSABOAGW-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methoxyethyl)-1-methylpiperidin-1-ium iodide
CID 16187399
4-Pentylmorpholine
CID 200930
1-(2-Methoxyethyl)-1-methylpiperidin-1-ium
CID 3095445
4-(2,2-Difluoropropyl)morpholine
CID 91007241
N-2-methoxyethylpiperidine
CID 22048494
1-(2-Ethoxyethyl)piperidine
CID 22622871
N-methyl-N-methoxyethylpiperidinium tetrafluoroborate
CID 134716201
4-(2,2,3,4,4,4-Hexafluorobutyl)-2-(1,1,2,3,3,3-hexafluoropropyl)morpholine
CID 17997707
4-(2,2,3,4,4,4-Hexafluorobutyl)morpholine
CID 17997711
1-[Ethoxy(difluoro)methyl]piperidine
CID 18721519
1-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)piperidine
CID 18725553
1-(1,1,2,2-Tetrafluoro-2-methoxyethyl)piperidine
CID 18725554

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methoxyethyl)piperidine?
The IUPAC name of 3,3-difluoro-1-(2-methoxyethyl)piperidine (CID 58335356) is 3,3-difluoro-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(2-methoxyethyl)piperidine is COCCN1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methoxyethyl)piperidine?
The InChIKey is VNKKFAQSABOAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-12-6-5-11-4-2-3-8(9,10)7-11/h2-7H2,1H3.
What are the key properties of 3,3-difluoro-1-(2-methoxyethyl)piperidine?
3,3-difluoro-1-(2-methoxyethyl)piperidine has a molecular weight of 179.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 58335356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).