ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate

C8H10FNO2S — CID 70892196

IUPACethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(CF)csc1N
InChIInChI=1S/C8H10FNO2S/c1-2-12-8(11)6-5(3-9)4-13-7(6)10/h4H,2-3,10H2,1H3
InChIKeyBLSVLRCQWCYWFP-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.98
Rot. Bonds3

About ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate

ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate (PubChem CID 70892196) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate
PubChem CID70892196
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Nameethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(CF)csc1N
InChIInChI=1S/C8H10FNO2S/c1-2-12-8(11)6-5(3-9)4-13-7(6)10/h4H,2-3,10H2,1H3
InChIKeyBLSVLRCQWCYWFP-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(methylperoxymethyl)thiophene-3-carboxylate
CID 89176401
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154
ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate
CID 139391371
methyl 2-amino-4-propylthiophene-3-carboxylate
CID 10559922
2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 70297607
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
CID 15889788
ethyl 2-amino-4-(2,4-dichloro-5-fluorophenyl)thiophene-3-carboxylate
CID 63472275
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
CID 43438925

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate (CID 70892196) is ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate is CCOC(=O)c1c(CF)csc1N.
What is the InChIKey of ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate?
The InChIKey is BLSVLRCQWCYWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-2-12-8(11)6-5(3-9)4-13-7(6)10/h4H,2-3,10H2,1H3.
What are the key properties of ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate?
ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 1.98, 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-(fluoromethyl)thiophene-3-carboxylate is sourced from PubChem (CID 70892196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).