methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride

C7H12ClF2NO2 — CID 91663853

IUPACmethyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(F)(F)C1.Cl
InChIInChI=1S/C7H11F2NO2.ClH/c1-12-6(11)5-2-7(8,9)4-10-3-5;/h5,10H,2-4H2,1H3;1H
InChIKeyVADFVHAAPLASEX-UHFFFAOYSA-N
MW215.63 g/mol
LogP0.83
Rot. Bonds1

About methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride

methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride (PubChem CID 91663853) has the molecular formula C7H12ClF2NO2 and a molecular weight of 215.63 g/mol. Its IUPAC name is methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride
PubChem CID91663853
Molecular FormulaC7H12ClF2NO2
Molecular Weight215.63 g/mol
Exact Mass215.05
IUPAC Namemethyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(F)(F)C1.Cl
InChIInChI=1S/C7H11F2NO2.ClH/c1-12-6(11)5-2-7(8,9)4-10-3-5;/h5,10H,2-4H2,1H3;1H
InChIKeyVADFVHAAPLASEX-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride (CID 91663853) is methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride is COC(=O)C1CNCC(F)(F)C1.Cl.
What is the InChIKey of methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride?
The InChIKey is VADFVHAAPLASEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2.ClH/c1-12-6(11)5-2-7(8,9)4-10-3-5;/h5,10H,2-4H2,1H3;1H.
What are the key properties of methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride?
methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride has a molecular weight of 215.63 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 91663853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).