ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate

C11H14F4N2O3S — CID 106296512

IUPACethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCC(F)(F)C(F)F)c(OC)c1N
InChIInChI=1S/C11H14F4N2O3S/c1-3-20-9(18)7-5(16)6(19-2)8(21-7)17-4-11(14,15)10(12)13/h10,17H,3-4,16H2,1-2H3
InChIKeyJAFWTZOSKYQTGF-UHFFFAOYSA-N
MW330.30 g/mol
LogP2.83
Rot. Bonds7

About ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate

ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate (PubChem CID 106296512) has the molecular formula C11H14F4N2O3S and a molecular weight of 330.30 g/mol. Its IUPAC name is ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
PubChem CID106296512
Molecular FormulaC11H14F4N2O3S
Molecular Weight330.30 g/mol
Exact Mass330.07
IUPAC Nameethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCC(F)(F)C(F)F)c(OC)c1N
InChIInChI=1S/C11H14F4N2O3S/c1-3-20-9(18)7-5(16)6(19-2)8(21-7)17-4-11(14,15)10(12)13/h10,17H,3-4,16H2,1-2H3
InChIKeyJAFWTZOSKYQTGF-UHFFFAOYSA-N
XLogP2.83
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
CID 103424571
methyl 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296514
ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424037
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032
4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide
CID 106296533
ethyl 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carboxylate
CID 106412840
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
CID 103506972
ethyl 3-amino-4-methylsulfonyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 103425844
3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425826
methyl 4-amino-5-cyano-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxylate
CID 106296505
5-acetyl-4-amino-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carbonitrile
CID 106296531
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate (CID 106296512) is ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(NCC(F)(F)C(F)F)c(OC)c1N.
What is the InChIKey of ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate?
The InChIKey is JAFWTZOSKYQTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O3S/c1-3-20-9(18)7-5(16)6(19-2)8(21-7)17-4-11(14,15)10(12)13/h10,17H,3-4,16H2,1-2H3.
What are the key properties of ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate?
ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate has a molecular weight of 330.30 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate is sourced from PubChem (CID 106296512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).