3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

C12H7F3NO2S- — CID 7171200

IUPAC3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESNc1c(C(=O)[O-])sc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)10-7(6-4-2-1-3-5-6)8(16)9(19-10)11(17)18/h1-5H,16H2,(H,17,18)/p-1
InChIKeyBPFFXVCOJJGNQU-UHFFFAOYSA-M
MW286.25 g/mol
LogP2.38
Rot. Bonds2

About 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (PubChem CID 7171200) has the molecular formula C12H7F3NO2S- and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
PubChem CID7171200
Molecular FormulaC12H7F3NO2S-
Molecular Weight286.25 g/mol
Exact Mass286.02
IUPAC Name3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESNc1c(C(=O)[O-])sc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)10-7(6-4-2-1-3-5-6)8(16)9(19-10)11(17)18/h1-5H,16H2,(H,17,18)/p-1
InChIKeyBPFFXVCOJJGNQU-UHFFFAOYSA-M
XLogP2.38
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate 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 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
CID 674768
Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
CID 693902
2-Amino-5-phenyl-thiophene-3-carboxylic acid
CID 724916
Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate
CID 619692
Methyl 3-amino-5-phenylthiophene-2-carboxylate
CID 700562
Methyl 2-amino-4-(4-fluorophenyl)-3-thiophenecarboxylate
CID 712401
Methyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 874714
Methyl 2-amino-5-benzyl-4-methyl-3-thiophenecarboxylate
CID 621516
Methyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
CID 921213
Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
CID 2775320
Ethyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 711206

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The IUPAC name of 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CID 7171200) is 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate.
What is the SMILES notation for 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The canonical SMILES for 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is Nc1c(C(=O)[O-])sc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The InChIKey is BPFFXVCOJJGNQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8F3NO2S/c13-12(14,15)10-7(6-4-2-1-3-5-6)8(16)9(19-10)11(17)18/h1-5H,16H2,(H,17,18)/p-1.
What are the key properties of 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate has a molecular weight of 286.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is sourced from PubChem (CID 7171200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).