methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate

C12H13F2NO2 — CID 60795655

IUPACmethyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO2/c1-17-12(16)11(15-7-5-6-7)10-8(13)3-2-4-9(10)14/h2-4,7,11,15H,5-6H2,1H3
InChIKeyJGWADSMSQUPTDD-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.93
Rot. Bonds4

About methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate

methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate (PubChem CID 60795655) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate
PubChem CID60795655
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Namemethyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO2/c1-17-12(16)11(15-7-5-6-7)10-8(13)3-2-4-9(10)14/h2-4,7,11,15H,5-6H2,1H3
InChIKeyJGWADSMSQUPTDD-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate
CID 116857352
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690174
methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate
CID 60991906
methyl 2-(3-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetate
CID 114488196
methyl 2-(cyclopropylamino)-2-pyridin-2-ylacetate
CID 66593106
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62314218

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate (CID 60795655) is methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate is COC(=O)C(NC1CC1)c1c(F)cccc1F.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate?
The InChIKey is JGWADSMSQUPTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-17-12(16)11(15-7-5-6-7)10-8(13)3-2-4-9(10)14/h2-4,7,11,15H,5-6H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate?
methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate has a molecular weight of 241.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate is sourced from PubChem (CID 60795655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).