methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate

C10H11F2NO3 — CID 93311120

IUPACmethyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
SMILESCOC(=O)[C@H](N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H11F2NO3/c1-15-9(14)8(13)6-2-4-7(5-3-6)16-10(11)12/h2-5,8,10H,13H2,1H3/t8-/m1/s1
InChIKeyCSVCNZXLGYSWCN-MRVPVSSYSA-N
MW231.20 g/mol
LogP1.46
Rot. Bonds4

About methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate

methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate (PubChem CID 93311120) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
PubChem CID93311120
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Namemethyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
SMILESCOC(=O)[C@H](N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H11F2NO3/c1-15-9(14)8(13)6-2-4-7(5-3-6)16-10(11)12/h2-5,8,10H,13H2,1H3/t8-/m1/s1
InChIKeyCSVCNZXLGYSWCN-MRVPVSSYSA-N
XLogP1.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171228282
methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 68701714
methyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate;hydrochloride
CID 174705729
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
methyl (2S)-2-(4-bromophenyl)-2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 95154759
methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
CID 10082311
(1S,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]propan-1-ol
CID 28743825
dimethyl 2-[1-[4-(difluoromethoxy)phenyl]-2-nitroethyl]propanedioate
CID 126669101
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
CID 29059969
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
ethyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate
CID 43147898
ethyl (3R)-3-amino-3-[4-(difluoromethoxy)phenyl]-2-fluoropropanoate;hydrochloride
CID 171241697

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate (CID 93311120) is methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate is COC(=O)[C@H](N)c1ccc(OC(F)F)cc1.
What is the InChIKey of methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate?
The InChIKey is CSVCNZXLGYSWCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-15-9(14)8(13)6-2-4-7(5-3-6)16-10(11)12/h2-5,8,10H,13H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate?
methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate has a molecular weight of 231.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 93311120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).