methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate

C9H15F2NO2 — CID 71742057

IUPACmethyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
SMILESCOC(=O)[C@H](N)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2/c1-14-8(13)7(12)6-2-4-9(10,11)5-3-6/h6-7H,2-5,12H2,1H3/t7-/m1/s1
InChIKeyQORDREFHKFOQOC-SSDOTTSWSA-N
MW207.22 g/mol
LogP1.31
Rot. Bonds2

About methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate

methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate (PubChem CID 71742057) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
PubChem CID71742057
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Namemethyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
SMILESCOC(=O)[C@H](N)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2/c1-14-8(13)7(12)6-2-4-9(10,11)5-3-6/h6-7H,2-5,12H2,1H3/t7-/m1/s1
InChIKeyQORDREFHKFOQOC-SSDOTTSWSA-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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Related Compounds

methyl 2-(4,4-difluorocyclohexyl)propanoate
CID 76804780
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
methyl (2S)-2-acetamido-3-(4,4-difluorocyclohexyl)propanoate
CID 138628336
methyl (2R)-2-[(4,4-difluorocyclohexyl)methyl]-4-oxopentanoate
CID 152865131
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346
methyl (2S)-2-amino-2-[4-(1,3-dioxolan-2-yl)cyclohexyl]acetate
CID 34178274
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
CID 130277693
1-(4,4-difluorocyclohexyl)ethylhydrazine
CID 105282609
methyl (2S)-3-(4,4-difluorocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 59382883
tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
CID 167731611
2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol
CID 90710421

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate (CID 71742057) is methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate is COC(=O)[C@H](N)C1CCC(F)(F)CC1.
What is the InChIKey of methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate?
The InChIKey is QORDREFHKFOQOC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-14-8(13)7(12)6-2-4-9(10,11)5-3-6/h6-7H,2-5,12H2,1H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate?
methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate 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 (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate is sourced from PubChem (CID 71742057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).