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

C9H7ClF3NO4 — CID 78990162

IUPAC2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H7ClF3NO4/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)
InChIKeyIQQTZNYRVYUNOZ-UHFFFAOYSA-N
MW285.61 g/mol
LogP2.02
Rot. Bonds4

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

2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990162) has the molecular formula C9H7ClF3NO4 and a molecular weight of 285.61 g/mol. Its IUPAC name is 2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990162
Molecular FormulaC9H7ClF3NO4
Molecular Weight285.61 g/mol
Exact Mass285.00
IUPAC Name2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H7ClF3NO4/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)
InChIKeyIQQTZNYRVYUNOZ-UHFFFAOYSA-N
XLogP2.02
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.61
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106500354
2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258051
2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990578
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
2-[(2,5-dimethylfuran-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990637
2-[(4-methylphenyl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263453
2-[(3-chloro-5-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81322907
2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258299
2-[(4-bromo-2-methoxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115368686
2-[(4-amino-3-bromobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258006

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990162) is 2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IQQTZNYRVYUNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO4/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-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 285.61 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).