methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate

C10H10F3NO2 — CID 105492147

IUPACmethyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate
SMILESCOC(=O)C(N)C(F)(F)c1ccccc1F
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)8(14)10(12,13)6-4-2-3-5-7(6)11/h2-5,8H,14H2,1H3
InChIKeyOFNRVZJBIMBRKK-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.42
Rot. Bonds3

About methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate

methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate (PubChem CID 105492147) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate
PubChem CID105492147
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate
SMILESCOC(=O)C(N)C(F)(F)c1ccccc1F
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)8(14)10(12,13)6-4-2-3-5-7(6)11/h2-5,8H,14H2,1H3
InChIKeyOFNRVZJBIMBRKK-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 126734031
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
4,4-difluoro-4-(2-fluorophenyl)butan-2-amine
CID 105455072
methyl 2-amino-3-(3,4-dihydroxyphenyl)-3,3-difluoropropanoate;hydrochloride
CID 129320162
methyl 2-fluoro-2-(2-methylsulfanylphenyl)propanoate
CID 105485565
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid
CID 66877184
methyl (2R)-2-amino-3-fluoro-3-methylbutanoate
CID 91978307
2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121053
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
methyl 2-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]butanoate
CID 115050962
methyl 2-(trifluoromethyl)benzoate
CID 2775578

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate?
The IUPAC name of methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate (CID 105492147) is methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate is COC(=O)C(N)C(F)(F)c1ccccc1F.
What is the InChIKey of methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate?
The InChIKey is OFNRVZJBIMBRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-9(15)8(14)10(12,13)6-4-2-3-5-7(6)11/h2-5,8H,14H2,1H3.
What are the key properties of methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate?
methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate has a molecular weight of 233.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 105492147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).