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

C7H7ClF3NO2S — CID 70490542

IUPACmethyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1sc(C(F)(F)F)cc1N.Cl
InChIInChI=1S/C7H6F3NO2S.ClH/c1-13-6(12)5-3(11)2-4(14-5)7(8,9)10;/h2H,11H2,1H3;1H
InChIKeyQKZDNXYMHMZFRK-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.56
Rot. Bonds1

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

methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride (PubChem CID 70490542) has the molecular formula C7H7ClF3NO2S and a molecular weight of 261.65 g/mol. Its IUPAC name is methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride
PubChem CID70490542
Molecular FormulaC7H7ClF3NO2S
Molecular Weight261.65 g/mol
Exact Mass260.98
IUPAC Namemethyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1sc(C(F)(F)F)cc1N.Cl
InChIInChI=1S/C7H6F3NO2S.ClH/c1-13-6(12)5-3(11)2-4(14-5)7(8,9)10;/h2H,11H2,1H3;1H
InChIKeyQKZDNXYMHMZFRK-UHFFFAOYSA-N
XLogP2.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.56
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;hydrochloride?
The IUPAC name of methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride (CID 70490542) is methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride is COC(=O)c1sc(C(F)(F)F)cc1N.Cl.
What is the InChIKey of methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride?
The InChIKey is QKZDNXYMHMZFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S.ClH/c1-13-6(12)5-3(11)2-4(14-5)7(8,9)10;/h2H,11H2,1H3;1H.
What are the key properties of methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride?
methyl 3-amino-5-(trifluoromethyl)thiophene-2-carboxylate;hydrochloride has a molecular weight of 261.65 g/mol, XLogP of 2.56, 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;hydrochloride is sourced from PubChem (CID 70490542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).