methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate

C10H11ClFNO2 — CID 105490299

IUPACmethyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate
SMILESCOC(=O)C(N)(CF)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNO2/c1-15-9(14)10(13,6-12)7-2-4-8(11)5-3-7/h2-5H,6,13H2,1H3
InChIKeyVJQBDURBVVZRRZ-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.64
Rot. Bonds3

About methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate

methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate (PubChem CID 105490299) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate
PubChem CID105490299
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Namemethyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate
SMILESCOC(=O)C(N)(CF)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNO2/c1-15-9(14)10(13,6-12)7-2-4-8(11)5-3-7/h2-5H,6,13H2,1H3
InChIKeyVJQBDURBVVZRRZ-UHFFFAOYSA-N
XLogP1.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-bromo-2-(4-chlorophenyl)propanoate
CID 97034672
methyl 2-chloro-2-(4-chlorophenyl)propanoate
CID 19781425
methyl 2-amino-2-(4-bromophenyl)butanoate
CID 60795428
methyl (2S)-2-(4-chlorophenyl)-2-cyano-2-fluoroacetate
CID 135055714
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
CID 61001353
methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895289
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
dimethyl 2,2-bis[2-(4-chlorophenyl)-2-oxoethyl]propanedioate
CID 101192574
2-(4-chlorophenyl)propan-2-yl 2-aminoacetate
CID 175017464
dimethyl 2-[(4-chlorophenoxy)methyl]-2-methylpropanedioate
CID 66921686
methyl 2-(2-amino-1,3-thiazol-4-yl)-2-(4-chlorophenyl)propanoate
CID 169221923

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate?
The IUPAC name of methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate (CID 105490299) is methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate.
What is the SMILES notation for methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate?
The canonical SMILES for methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate is COC(=O)C(N)(CF)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate?
The InChIKey is VJQBDURBVVZRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-15-9(14)10(13,6-12)7-2-4-8(11)5-3-7/h2-5H,6,13H2,1H3.
What are the key properties of methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate?
methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate has a molecular weight of 231.65 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate is sourced from PubChem (CID 105490299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).