4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride

C8H16ClF2NO — CID 167736904

IUPAC4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride
SMILESCOC(C(F)F)C1CCNCC1.Cl
InChIInChI=1S/C8H15F2NO.ClH/c1-12-7(8(9)10)6-2-4-11-5-3-6;/h6-8,11H,2-5H2,1H3;1H
InChIKeyBSQKDQOWXRUTNA-UHFFFAOYSA-N
MW215.67 g/mol
LogP1.69
Rot. Bonds3

About 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride

4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride (PubChem CID 167736904) has the molecular formula C8H16ClF2NO and a molecular weight of 215.67 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride
PubChem CID167736904
Molecular FormulaC8H16ClF2NO
Molecular Weight215.67 g/mol
Exact Mass215.09
IUPAC Name4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride
SMILESCOC(C(F)F)C1CCNCC1.Cl
InChIInChI=1S/C8H15F2NO.ClH/c1-12-7(8(9)10)6-2-4-11-5-3-6;/h6-8,11H,2-5H2,1H3;1H
InChIKeyBSQKDQOWXRUTNA-UHFFFAOYSA-N
XLogP1.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride?
The IUPAC name of 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride (CID 167736904) is 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride is COC(C(F)F)C1CCNCC1.Cl.
What is the InChIKey of 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride?
The InChIKey is BSQKDQOWXRUTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.ClH/c1-12-7(8(9)10)6-2-4-11-5-3-6;/h6-8,11H,2-5H2,1H3;1H.
What are the key properties of 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride?
4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride has a molecular weight of 215.67 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-1-methoxyethyl)piperidine;hydrochloride is sourced from PubChem (CID 167736904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).