ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate

C10H11F2NO2S — CID 79367155

IUPACethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1cc(F)ccc1N
InChIInChI=1S/C10H11F2NO2S/c1-2-15-10(14)9(12)16-8-5-6(11)3-4-7(8)13/h3-5,9H,2,13H2,1H3
InChIKeyRHEDGMOMRDUVRK-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.36
Rot. Bonds4

About ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate

ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate (PubChem CID 79367155) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate
PubChem CID79367155
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Nameethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1cc(F)ccc1N
InChIInChI=1S/C10H11F2NO2S/c1-2-15-10(14)9(12)16-8-5-6(11)3-4-7(8)13/h3-5,9H,2,13H2,1H3
InChIKeyRHEDGMOMRDUVRK-UHFFFAOYSA-N
XLogP2.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate 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

ethyl 3-(2-amino-5-fluorophenyl)sulfanylpropanoate
CID 79147797
methyl 2-(2-amino-5-fluorophenyl)sulfanylhexanoate
CID 113373527
ethyl 3-(2-amino-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865814
diethyl 2-(2-amino-5-methylphenyl)sulfanylbutanedioate
CID 101356281
ethyl 4-amino-3-(2,5-difluorophenyl)sulfanylbenzoate
CID 82779803
2-(2-amino-5-ethoxyphenyl)sulfanyl-2-fluoroacetic acid
CID 79512385
methyl 4-(2-amino-5-fluorophenyl)sulfanyl-2-ethylbut-2-enoate
CID 79148673
3-(2-amino-5-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 79147838
ethyl 2-(2-amino-5-methoxyphenyl)sulfanylbutanoate
CID 79511079
ethyl 2-amino-4-(2,5-difluorophenyl)sulfanylbutanoate
CID 55145519
3-(2-amino-5-fluorophenyl)sulfanyl-2-methylpropanoic acid
CID 79148110
ethyl 2-ethylsulfanyl-4-fluorobenzoate
CID 91875883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate?
The IUPAC name of ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate (CID 79367155) is ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate is CCOC(=O)C(F)Sc1cc(F)ccc1N.
What is the InChIKey of ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate?
The InChIKey is RHEDGMOMRDUVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c1-2-15-10(14)9(12)16-8-5-6(11)3-4-7(8)13/h3-5,9H,2,13H2,1H3.
What are the key properties of ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate?
ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate has a molecular weight of 247.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate is sourced from PubChem (CID 79367155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).