methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate

C7H6F3NO2S — CID 16639954

IUPACmethyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C(F)(F)F)cc1N
InChIInChI=1S/C7H6F3NO2S/c1-13-6(12)5-3(11)2-4(14-5)7(8,9)10/h2H,11H2,1H3
InChIKeyUSFZWRFTPMMTFR-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.14
Rot. Bonds1

About methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate

methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate (PubChem CID 16639954) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate
PubChem CID16639954
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Namemethyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C(F)(F)F)cc1N
InChIInChI=1S/C7H6F3NO2S/c1-13-6(12)5-3(11)2-4(14-5)7(8,9)10/h2H,11H2,1H3
InChIKeyUSFZWRFTPMMTFR-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate (CID 16639954) is methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate is COC(=O)c1sc(C(F)(F)F)cc1N.
What is the InChIKey of methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate?
The InChIKey is USFZWRFTPMMTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-13-6(12)5-3(11)2-4(14-5)7(8,9)10/h2H,11H2,1H3.
What are the key properties of methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate?
methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate has a molecular weight of 225.19 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate is sourced from PubChem (CID 16639954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).