methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride

C8H12ClF2NO2 — CID 138040248

IUPACmethyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride
SMILESCOC(=O)C1NCCC12CC2(F)F.Cl
InChIInChI=1S/C8H11F2NO2.ClH/c1-13-6(12)5-7(2-3-11-5)4-8(7,9)10;/h5,11H,2-4H2,1H3;1H
InChIKeyZGVDHVZHEIPNFF-UHFFFAOYSA-N
MW227.64 g/mol
LogP0.97
Rot. Bonds1

About methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride

methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride (PubChem CID 138040248) has the molecular formula C8H12ClF2NO2 and a molecular weight of 227.64 g/mol. Its IUPAC name is methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride
PubChem CID138040248
Molecular FormulaC8H12ClF2NO2
Molecular Weight227.64 g/mol
Exact Mass227.05
IUPAC Namemethyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride
SMILESCOC(=O)C1NCCC12CC2(F)F.Cl
InChIInChI=1S/C8H11F2NO2.ClH/c1-13-6(12)5-7(2-3-11-5)4-8(7,9)10;/h5,11H,2-4H2,1H3;1H
InChIKeyZGVDHVZHEIPNFF-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.64
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride (CID 138040248) is methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride is COC(=O)C1NCCC12CC2(F)F.Cl.
What is the InChIKey of methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride?
The InChIKey is ZGVDHVZHEIPNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2.ClH/c1-13-6(12)5-7(2-3-11-5)4-8(7,9)10;/h5,11H,2-4H2,1H3;1H.
What are the key properties of methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride?
methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride has a molecular weight of 227.64 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate;hydrochloride is sourced from PubChem (CID 138040248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).