methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride

C9H14ClF2NO2 — CID 139026423

IUPACmethyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC2(CC(F)(F)C2)C1.Cl
InChIInChI=1S/C9H13F2NO2.ClH/c1-14-6(13)8(12)2-7(3-8)4-9(10,11)5-7;/h2-5,12H2,1H3;1H
InChIKeyDCDBKFWVTZFEBK-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.49
Rot. Bonds1

About methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride

methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride (PubChem CID 139026423) has the molecular formula C9H14ClF2NO2 and a molecular weight of 241.66 g/mol. Its IUPAC name is methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride
PubChem CID139026423
Molecular FormulaC9H14ClF2NO2
Molecular Weight241.66 g/mol
Exact Mass241.07
IUPAC Namemethyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC2(CC(F)(F)C2)C1.Cl
InChIInChI=1S/C9H13F2NO2.ClH/c1-14-6(13)8(12)2-7(3-8)4-9(10,11)5-7;/h2-5,12H2,1H3;1H
InChIKeyDCDBKFWVTZFEBK-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride?
The IUPAC name of methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride (CID 139026423) is methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride is COC(=O)C1(N)CC2(CC(F)(F)C2)C1.Cl.
What is the InChIKey of methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride?
The InChIKey is DCDBKFWVTZFEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2.ClH/c1-14-6(13)8(12)2-7(3-8)4-9(10,11)5-7;/h2-5,12H2,1H3;1H.
What are the key properties of methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride?
methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride has a molecular weight of 241.66 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate;hydrochloride is sourced from PubChem (CID 139026423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).