(2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride

C12H20ClF2NO2 — CID 162724729

IUPAC(2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)(N)C(=O)OCC1CC2(C1)CC(F)(F)C2.Cl
InChIInChI=1S/C12H19F2NO2.ClH/c1-10(2,15)9(16)17-5-8-3-11(4-8)6-12(13,14)7-11;/h8H,3-7,15H2,1-2H3;1H
InChIKeyBPLVJSXUGPDQFD-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.51
Rot. Bonds3

About (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride

(2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride (PubChem CID 162724729) has the molecular formula C12H20ClF2NO2 and a molecular weight of 283.75 g/mol. Its IUPAC name is (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Name(2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride
PubChem CID162724729
Molecular FormulaC12H20ClF2NO2
Molecular Weight283.75 g/mol
Exact Mass283.12
IUPAC Name(2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)(N)C(=O)OCC1CC2(C1)CC(F)(F)C2.Cl
InChIInChI=1S/C12H19F2NO2.ClH/c1-10(2,15)9(16)17-5-8-3-11(4-8)6-12(13,14)7-11;/h8H,3-7,15H2,1-2H3;1H
InChIKeyBPLVJSXUGPDQFD-UHFFFAOYSA-N
XLogP2.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride?
The IUPAC name of (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride (CID 162724729) is (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride.
What is the SMILES notation for (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride?
The canonical SMILES for (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride is CC(C)(N)C(=O)OCC1CC2(C1)CC(F)(F)C2.Cl.
What is the InChIKey of (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride?
The InChIKey is BPLVJSXUGPDQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2.ClH/c1-10(2,15)9(16)17-5-8-3-11(4-8)6-12(13,14)7-11;/h8H,3-7,15H2,1-2H3;1H.
What are the key properties of (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride?
(2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride has a molecular weight of 283.75 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 162724729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).