methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride

C8H14ClF2NO2 — CID 155894717

IUPACmethyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride
SMILESCOC(=O)CC1CNCCC1(F)F.Cl
InChIInChI=1S/C8H13F2NO2.ClH/c1-13-7(12)4-6-5-11-3-2-8(6,9)10;/h6,11H,2-5H2,1H3;1H
InChIKeyJOAQDCARSAPWLC-UHFFFAOYSA-N
MW229.65 g/mol
LogP1.22
Rot. Bonds2

About methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride

methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride (PubChem CID 155894717) has the molecular formula C8H14ClF2NO2 and a molecular weight of 229.65 g/mol. Its IUPAC name is methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride
PubChem CID155894717
Molecular FormulaC8H14ClF2NO2
Molecular Weight229.65 g/mol
Exact Mass229.07
IUPAC Namemethyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride
SMILESCOC(=O)CC1CNCCC1(F)F.Cl
InChIInChI=1S/C8H13F2NO2.ClH/c1-13-7(12)4-6-5-11-3-2-8(6,9)10;/h6,11H,2-5H2,1H3;1H
InChIKeyJOAQDCARSAPWLC-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride (CID 155894717) is methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride is COC(=O)CC1CNCCC1(F)F.Cl.
What is the InChIKey of methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride?
The InChIKey is JOAQDCARSAPWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2.ClH/c1-13-7(12)4-6-5-11-3-2-8(6,9)10;/h6,11H,2-5H2,1H3;1H.
What are the key properties of methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride?
methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride has a molecular weight of 229.65 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-difluoropiperidin-3-yl)acetate;hydrochloride is sourced from PubChem (CID 155894717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).