ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate

C14H12F3NO2S — CID 43332711

IUPACethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cccc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C14H12F3NO2S/c1-2-20-13(19)12-10(18)7-11(21-12)8-4-3-5-9(6-8)14(15,16)17/h3-7H,2,18H2,1H3
InChIKeyYYFUNERNVOYNEH-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.19
Rot. Bonds3

About ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate

ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate (PubChem CID 43332711) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
PubChem CID43332711
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Nameethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cccc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C14H12F3NO2S/c1-2-20-13(19)12-10(18)7-11(21-12)8-4-3-5-9(6-8)14(15,16)17/h3-7H,2,18H2,1H3
InChIKeyYYFUNERNVOYNEH-UHFFFAOYSA-N
XLogP4.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 150465192
ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
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ethyl 3-amino-5-(3-ethylthiophen-2-yl)thiophene-2-carboxylate
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3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
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ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethyl)phenyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate (CID 43332711) is ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is CCOC(=O)c1sc(-c2cccc(C(F)(F)F)c2)cc1N.
What is the InChIKey of ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
The InChIKey is YYFUNERNVOYNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-2-20-13(19)12-10(18)7-11(21-12)8-4-3-5-9(6-8)14(15,16)17/h3-7H,2,18H2,1H3.
What are the key properties of ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate has a molecular weight of 315.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is sourced from PubChem (CID 43332711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).