2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid

C8H6F3NO4 — CID 166000301

IUPAC2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)C(F)(F)F)c1ccco1
InChIInChI=1S/C8H6F3NO4/c9-8(10,11)7(15)12-5(6(13)14)4-2-1-3-16-4/h1-3,5H,(H,12,15)(H,13,14)
InChIKeyYTRITJCZKBFHDY-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.08
Rot. Bonds3

About 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid

2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 166000301) has the molecular formula C8H6F3NO4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID166000301
Molecular FormulaC8H6F3NO4
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC Name2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)C(F)(F)F)c1ccco1
InChIInChI=1S/C8H6F3NO4/c9-8(10,11)7(15)12-5(6(13)14)4-2-1-3-16-4/h1-3,5H,(H,12,15)(H,13,14)
InChIKeyYTRITJCZKBFHDY-UHFFFAOYSA-N
XLogP1.08
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid
CID 82089753
(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 11086585
(3S)-4,4,4-trifluoro-3-(furan-2-yl)butanoic acid
CID 129375360
2-(furan-2-yl)propanedioic acid
CID 19790856
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid
CID 5047789
N-(3-bromo-2-oxo-1-phenylpropyl)-2,2,2-trifluoroacetamide
CID 104700780
2-(furan-2-yl)-3,3-dimethylbutanoic acid
CID 83817123
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
2-amino-N-[1-(furan-2-yl)ethyl]-2-phenylpropanamide
CID 55078587
2-fluoro-2-(furan-2-yl)propanedioic acid
CID 139618699
2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid
CID 82238331
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid (CID 166000301) is 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid is O=C(O)C(NC(=O)C(F)(F)F)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is YTRITJCZKBFHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO4/c9-8(10,11)7(15)12-5(6(13)14)4-2-1-3-16-4/h1-3,5H,(H,12,15)(H,13,14).
What are the key properties of 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 237.13 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 166000301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).