3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid

C8H5Cl2F2NO3S — CID 154577507

IUPAC3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid
SMILESO=C(NCC(F)(F)C(=O)O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H5Cl2F2NO3S/c9-4-1-3(5(10)17-4)6(14)13-2-8(11,12)7(15)16/h1H,2H2,(H,13,14)(H,15,16)
InChIKeyPZQDXUWKNKURHA-UHFFFAOYSA-N
MW304.10 g/mol
LogP2.50
Rot. Bonds4

About 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid

3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid (PubChem CID 154577507) has the molecular formula C8H5Cl2F2NO3S and a molecular weight of 304.10 g/mol. Its IUPAC name is 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid
PubChem CID154577507
Molecular FormulaC8H5Cl2F2NO3S
Molecular Weight304.10 g/mol
Exact Mass302.93
IUPAC Name3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid
SMILESO=C(NCC(F)(F)C(=O)O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H5Cl2F2NO3S/c9-4-1-3(5(10)17-4)6(14)13-2-8(11,12)7(15)16/h1H,2H2,(H,13,14)(H,15,16)
InChIKeyPZQDXUWKNKURHA-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(2,5-Dichlorothiophen-3-yl)methyl]amino}-2,2-difluoropropanoic acid
CID 155821565
2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78865458
2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103723071
2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103769641
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 103857559
2,5-dichloro-N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide
CID 104857095
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide
CID 104954947
1-(2,5-Dichlorothiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 107959625
2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 107963451
2-[(2,5-Dichlorothiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113229169
2-[(2,5-Dichlorothiophene-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 114020991
1-(2,5-Dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259132

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid?
The IUPAC name of 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid (CID 154577507) is 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid?
The canonical SMILES for 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid is O=C(NCC(F)(F)C(=O)O)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid?
The InChIKey is PZQDXUWKNKURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO3S/c9-4-1-3(5(10)17-4)6(14)13-2-8(11,12)7(15)16/h1H,2H2,(H,13,14)(H,15,16).
What are the key properties of 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid?
3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid has a molecular weight of 304.10 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorothiophene-3-carbonyl)amino]-2,2-difluoropropanoic acid is sourced from PubChem (CID 154577507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).