ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate

C11H13F2NO2S — CID 139391371

IUPACethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC(F)(F)C2)csc1N
InChIInChI=1S/C11H13F2NO2S/c1-2-16-10(15)8-7(5-17-9(8)14)6-3-11(12,13)4-6/h5-6H,2-4,14H2,1H3
InChIKeyPYWRJYGXMHSCOA-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.02
Rot. Bonds3

About ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate

ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate (PubChem CID 139391371) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate
PubChem CID139391371
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Nameethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC(F)(F)C2)csc1N
InChIInChI=1S/C11H13F2NO2S/c1-2-16-10(15)8-7(5-17-9(8)14)6-3-11(12,13)4-6/h5-6H,2-4,14H2,1H3
InChIKeyPYWRJYGXMHSCOA-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154
ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate
CID 174355593
ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate
CID 70892196
ethyl 2-amino-4-(3,4-dihydro-2H-chromen-3-yl)thiophene-3-carboxylate
CID 139391406
ethyl 2-amino-4-(methylperoxymethyl)thiophene-3-carboxylate
CID 89176401
methyl 2-amino-4-cyclopentylthiophene-3-carboxylate
CID 62633873
ethyl 2-amino-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiophene-3-carboxylate
CID 788351
ethyl 2-[3-(3,3-difluorocyclobutyl)-2-oxopropyl]-4-methylthiophene-3-carboxylate
CID 161287594
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699
ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 19100735
ethyl 2-(2-bromopropanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 114014241
ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate
CID 64593291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate (CID 139391371) is ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate is CCOC(=O)c1c(C2CC(F)(F)C2)csc1N.
What is the InChIKey of ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate?
The InChIKey is PYWRJYGXMHSCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c1-2-16-10(15)8-7(5-17-9(8)14)6-3-11(12,13)4-6/h5-6H,2-4,14H2,1H3.
What are the key properties of ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate?
ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate has a molecular weight of 261.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate is sourced from PubChem (CID 139391371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).