2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H7ClF3NO3S — CID 78990534

IUPAC2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H7ClF3NO3S/c10-6-2-1-5(18-6)8(17)14(3-7(15)16)4-9(11,12)13/h1-2H,3-4H2,(H,15,16)
InChIKeyADCIZDGCDNOLKF-UHFFFAOYSA-N
MW301.67 g/mol
LogP2.49
Rot. Bonds4

About 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990534) has the molecular formula C9H7ClF3NO3S and a molecular weight of 301.67 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990534
Molecular FormulaC9H7ClF3NO3S
Molecular Weight301.67 g/mol
Exact Mass300.98
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H7ClF3NO3S/c10-6-2-1-5(18-6)8(17)14(3-7(15)16)4-9(11,12)13/h1-2H,3-4H2,(H,15,16)
InChIKeyADCIZDGCDNOLKF-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.67
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl (5-chlorothiophene-2-carbonyl)glycinate
CID 2225367
N-[(5-Chloro-2-thienyl)carbonyl]glycine
CID 43239030
(2R)-2-[(5-chlorothiophen-2-yl)formamido]-3-methylbutanoic acid
CID 79011308
2-(N-methyl-1-(thiophen-2-yl)formamido)acetic acid
CID 6422196
1-(5-Chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 22557517
(((3-Chloro-2-thienyl)carbonyl)amino)acetic acid
CID 24212758
(5-Chlorothiophen-2-yl)(3-(2,2,2-trifluoroethoxy)azetidin-1-yl)methanone
CID 121018905
3-[(5-Chloro-thiophene-2-carbonyl)-amino]-2,2-difluoro-propionic acid
CID 69509545
3-[(5-Chloro-thiophene-2-carbonyl)-amino]-2,2-difluoro-propionic acid ethyl ester
CID 69510780
5-Chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 69522187
2-[(5-Fluorothiophene-2-carbonyl)amino]acetic acid
CID 89596191
5-chloro-thiophene-2-carboxylic acid ((S)-1-pyrrolidin-3-ylmethyl)-amide trifluoro acetate
CID 131728399

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990534) is 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ADCIZDGCDNOLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO3S/c10-6-2-1-5(18-6)8(17)14(3-7(15)16)4-9(11,12)13/h1-2H,3-4H2,(H,15,16).
What are the key properties of 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 301.67 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).