thiophen-2-ylmethyl 2-amino-6-fluorobenzoate

C12H10FNO2S — CID 61233744

IUPACthiophen-2-ylmethyl 2-amino-6-fluorobenzoate
SMILESNc1cccc(F)c1C(=O)OCc1cccs1
InChIInChI=1S/C12H10FNO2S/c13-9-4-1-5-10(14)11(9)12(15)16-7-8-3-2-6-17-8/h1-6H,7,14H2
InChIKeyPYFZFQDDGRTSQM-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.83
Rot. Bonds3

About thiophen-2-ylmethyl 2-amino-6-fluorobenzoate

thiophen-2-ylmethyl 2-amino-6-fluorobenzoate (PubChem CID 61233744) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is thiophen-2-ylmethyl 2-amino-6-fluorobenzoate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 2-amino-6-fluorobenzoate
PubChem CID61233744
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Namethiophen-2-ylmethyl 2-amino-6-fluorobenzoate
SMILESNc1cccc(F)c1C(=O)OCc1cccs1
InChIInChI=1S/C12H10FNO2S/c13-9-4-1-5-10(14)11(9)12(15)16-7-8-3-2-6-17-8/h1-6H,7,14H2
InChIKeyPYFZFQDDGRTSQM-UHFFFAOYSA-N
XLogP2.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460
thiophen-2-ylmethyl 4-aminobenzoate
CID 61322513
propyl 2-amino-6-fluorobenzoate
CID 43443196
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271846
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloro-6-fluorobenzoate
CID 8863019
2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline
CID 107347955
2-fluoro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 43609287
4-methylpentyl 2-amino-6-fluorobenzoate
CID 61302884
thiophen-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 63840046
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 79773779

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 2-amino-6-fluorobenzoate?
The IUPAC name of thiophen-2-ylmethyl 2-amino-6-fluorobenzoate (CID 61233744) is thiophen-2-ylmethyl 2-amino-6-fluorobenzoate.
What is the SMILES notation for thiophen-2-ylmethyl 2-amino-6-fluorobenzoate?
The canonical SMILES for thiophen-2-ylmethyl 2-amino-6-fluorobenzoate is Nc1cccc(F)c1C(=O)OCc1cccs1.
What is the InChIKey of thiophen-2-ylmethyl 2-amino-6-fluorobenzoate?
The InChIKey is PYFZFQDDGRTSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-9-4-1-5-10(14)11(9)12(15)16-7-8-3-2-6-17-8/h1-6H,7,14H2.
What are the key properties of thiophen-2-ylmethyl 2-amino-6-fluorobenzoate?
thiophen-2-ylmethyl 2-amino-6-fluorobenzoate has a molecular weight of 251.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 2-amino-6-fluorobenzoate is sourced from PubChem (CID 61233744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).