2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid

C9H8F3NO4S — CID 115284238

IUPAC2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)OCC(F)(F)F
InChIInChI=1S/C9H8F3NO4S/c10-9(11,12)4-17-8(16)13-6(7(14)15)5-2-1-3-18-5/h1-3,6H,4H2,(H,13,16)(H,14,15)
InChIKeyLXSCWVOLSILTPQ-UHFFFAOYSA-N
MW283.23 g/mol
LogP2.16
Rot. Bonds4

About 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid

2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid (PubChem CID 115284238) has the molecular formula C9H8F3NO4S and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid
PubChem CID115284238
Molecular FormulaC9H8F3NO4S
Molecular Weight283.23 g/mol
Exact Mass283.01
IUPAC Name2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)OCC(F)(F)F
InChIInChI=1S/C9H8F3NO4S/c10-9(11,12)4-17-8(16)13-6(7(14)15)5-2-1-3-18-5/h1-3,6H,4H2,(H,13,16)(H,14,15)
InChIKeyLXSCWVOLSILTPQ-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-thiophen-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
CID 115285553
2-[(4-methylphenyl)methoxycarbonylamino]-2-thiophen-2-ylacetic acid
CID 22757837
methyl 2-phenyl-2-(2,2,2-trifluoroethoxycarbonylamino)acetate
CID 65173497
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 112602340
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284689
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 61345565
3-phenyl-2-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
CID 60706861
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid?
The IUPAC name of 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid (CID 115284238) is 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid?
The canonical SMILES for 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid is O=C(NC(C(=O)O)c1cccs1)OCC(F)(F)F.
What is the InChIKey of 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid?
The InChIKey is LXSCWVOLSILTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4S/c10-9(11,12)4-17-8(16)13-6(7(14)15)5-2-1-3-18-5/h1-3,6H,4H2,(H,13,16)(H,14,15).
What are the key properties of 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid?
2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid has a molecular weight of 283.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid is sourced from PubChem (CID 115284238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).