methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride

C6H10ClF2NO2 — CID 146155600

IUPACmethyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(CN)CC1(F)F.Cl
InChIInChI=1S/C6H9F2NO2.ClH/c1-11-4(10)5(3-9)2-6(5,7)8;/h2-3,9H2,1H3;1H
InChIKeyXAYMVLZPJGYMAQ-UHFFFAOYSA-N
MW201.60 g/mol
LogP0.57
Rot. Bonds2

About methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride

methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride (PubChem CID 146155600) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride
PubChem CID146155600
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Namemethyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(CN)CC1(F)F.Cl
InChIInChI=1S/C6H9F2NO2.ClH/c1-11-4(10)5(3-9)2-6(5,7)8;/h2-3,9H2,1H3;1H
InChIKeyXAYMVLZPJGYMAQ-UHFFFAOYSA-N
XLogP0.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.60
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride (CID 146155600) is methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride is COC(=O)C1(CN)CC1(F)F.Cl.
What is the InChIKey of methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride?
The InChIKey is XAYMVLZPJGYMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH/c1-11-4(10)5(3-9)2-6(5,7)8;/h2-3,9H2,1H3;1H.
What are the key properties of methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride?
methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride has a molecular weight of 201.60 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate;hydrochloride is sourced from PubChem (CID 146155600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).