[(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate

C18H17F4NO2 — CID 121463605

IUPAC[(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)O[C@@H](C)C(c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C18H17F4NO2/c1-9(23)18(24)25-10(2)17(13-5-3-11(19)7-15(13)21)14-6-4-12(20)8-16(14)22/h3-10,17H,23H2,1-2H3/t9-,10-/m0/s1
InChIKeyWODBFXDYNIWKTN-UWVGGRQHSA-N
MW355.33 g/mol
LogP3.65
Rot. Bonds5

About [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate

[(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate (PubChem CID 121463605) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate
PubChem CID121463605
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC Name[(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)O[C@@H](C)C(c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C18H17F4NO2/c1-9(23)18(24)25-10(2)17(13-5-3-11(19)7-15(13)21)14-6-4-12(20)8-16(14)22/h3-10,17H,23H2,1-2H3/t9-,10-/m0/s1
InChIKeyWODBFXDYNIWKTN-UWVGGRQHSA-N
XLogP3.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate 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

[(2S,3S)-3-(4-fluoro-2-methylphenyl)butan-2-yl] (2S)-2-aminopropanoate
CID 139472869
[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate
CID 123475451
[(2S,3R)-3-(4-fluoro-2-methylphenyl)-4-methylhexan-2-yl] (2S)-2-aminopropanoate
CID 135195220
1-(2,4-difluorophenyl)ethyl acetate
CID 141098399
[(2S,3R)-4-ethyl-3-(4-fluoro-2-methoxyphenyl)hexan-2-yl] (2S)-2-aminopropanoate
CID 135195236
[(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 135195222
[(2S,3R)-3-(3-fluorophenoxy)butan-2-yl] (2S)-2-aminopropanoate
CID 121466188
[(1S,2S)-1-(2,4-difluorophenyl)-1-phenylpropan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 121463718
[(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 135195219
[(1R,2S)-1-(2-fluoro-4-methylphenyl)-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate
CID 121462231
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate (CID 121463605) is [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate is C[C@H](N)C(=O)O[C@@H](C)C(c1ccc(F)cc1F)c1ccc(F)cc1F.
What is the InChIKey of [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate?
The InChIKey is WODBFXDYNIWKTN-UWVGGRQHSA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-9(23)18(24)25-10(2)17(13-5-3-11(19)7-15(13)21)14-6-4-12(20)8-16(14)22/h3-10,17H,23H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate?
[(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate has a molecular weight of 355.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 121463605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).