ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate

C16H13F4NO3S — CID 143238463

IUPACethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2F)csc1NC(=O)C(F)(F)F
InChIInChI=1S/C16H13F4NO3S/c1-2-24-13(22)7-10-11(9-5-3-4-6-12(9)17)8-25-14(10)21-15(23)16(18,19)20/h3-6,8H,2,7H2,1H3,(H,21,23)
InChIKeySFRJSKWFCOJHJF-UHFFFAOYSA-N
MW375.34 g/mol
LogP4.16
Rot. Bonds5

About ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate

ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate (PubChem CID 143238463) has the molecular formula C16H13F4NO3S and a molecular weight of 375.34 g/mol. Its IUPAC name is ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate
PubChem CID143238463
Molecular FormulaC16H13F4NO3S
Molecular Weight375.34 g/mol
Exact Mass375.06
IUPAC Nameethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2F)csc1NC(=O)C(F)(F)F
InChIInChI=1S/C16H13F4NO3S/c1-2-24-13(22)7-10-11(9-5-3-4-6-12(9)17)8-25-14(10)21-15(23)16(18,19)20/h3-6,8H,2,7H2,1H3,(H,21,23)
InChIKeySFRJSKWFCOJHJF-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate (CID 143238463) is ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate is CCOC(=O)Cc1c(-c2ccccc2F)csc1NC(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate?
The InChIKey is SFRJSKWFCOJHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO3S/c1-2-24-13(22)7-10-11(9-5-3-4-6-12(9)17)8-25-14(10)21-15(23)16(18,19)20/h3-6,8H,2,7H2,1H3,(H,21,23).
What are the key properties of ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate?
ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate has a molecular weight of 375.34 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophen-3-yl]acetate is sourced from PubChem (CID 143238463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).