difluoromethyl 4-amino-5-methylthiophene-2-carboxylate

C7H7F2NO2S — CID 61314867

IUPACdifluoromethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC(F)F)cc1N
InChIInChI=1S/C7H7F2NO2S/c1-3-4(10)2-5(13-3)6(11)12-7(8)9/h2,7H,10H2,1H3
InChIKeyKBXRTUKHVOFXSZ-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.02
Rot. Bonds2

About difluoromethyl 4-amino-5-methylthiophene-2-carboxylate

difluoromethyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 61314867) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is difluoromethyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namedifluoromethyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID61314867
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Namedifluoromethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC(F)F)cc1N
InChIInChI=1S/C7H7F2NO2S/c1-3-4(10)2-5(13-3)6(11)12-7(8)9/h2,7H,10H2,1H3
InChIKeyKBXRTUKHVOFXSZ-UHFFFAOYSA-N
XLogP2.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of difluoromethyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of difluoromethyl 4-amino-5-methylthiophene-2-carboxylate (CID 61314867) is difluoromethyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for difluoromethyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for difluoromethyl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OC(F)F)cc1N.
What is the InChIKey of difluoromethyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is KBXRTUKHVOFXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c1-3-4(10)2-5(13-3)6(11)12-7(8)9/h2,7H,10H2,1H3.
What are the key properties of difluoromethyl 4-amino-5-methylthiophene-2-carboxylate?
difluoromethyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 207.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 61314867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).