methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate

C9H15F2NO2 — CID 84722353

IUPACmethyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)C1CCCCC1N
InChIInChI=1S/C9H15F2NO2/c1-14-8(13)9(10,11)6-4-2-3-5-7(6)12/h6-7H,2-5,12H2,1H3
InChIKeyGIIOAYPKNDWMMU-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.31
Rot. Bonds2

About methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate

methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate (PubChem CID 84722353) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate
PubChem CID84722353
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Namemethyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)C1CCCCC1N
InChIInChI=1S/C9H15F2NO2/c1-14-8(13)9(10,11)6-4-2-3-5-7(6)12/h6-7H,2-5,12H2,1H3
InChIKeyGIIOAYPKNDWMMU-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate?
The IUPAC name of methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate (CID 84722353) is methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate?
The canonical SMILES for methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate is COC(=O)C(F)(F)C1CCCCC1N.
What is the InChIKey of methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate?
The InChIKey is GIIOAYPKNDWMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-14-8(13)9(10,11)6-4-2-3-5-7(6)12/h6-7H,2-5,12H2,1H3.
What are the key properties of methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate?
methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate has a molecular weight of 207.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate is sourced from PubChem (CID 84722353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).