4-[(2,2,2-trifluoroacetyl)amino]phenolate

C8H5F3NO2- — CID 171407160

IUPAC4-[(2,2,2-trifluoroacetyl)amino]phenolate
SMILESO=C(Nc1ccc([O-])cc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)7(14)12-5-1-3-6(13)4-2-5/h1-4,13H,(H,12,14)/p-1
InChIKeyIKQORWCSZJKSFE-UHFFFAOYSA-M
MW204.13 g/mol
LogP1.26
Rot. Bonds1

About 4-[(2,2,2-trifluoroacetyl)amino]phenolate

4-[(2,2,2-trifluoroacetyl)amino]phenolate (PubChem CID 171407160) has the molecular formula C8H5F3NO2- and a molecular weight of 204.13 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroacetyl)amino]phenolate.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroacetyl)amino]phenolate
PubChem CID171407160
Molecular FormulaC8H5F3NO2-
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name4-[(2,2,2-trifluoroacetyl)amino]phenolate
SMILESO=C(Nc1ccc([O-])cc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)7(14)12-5-1-3-6(13)4-2-5/h1-4,13H,(H,12,14)/p-1
InChIKeyIKQORWCSZJKSFE-UHFFFAOYSA-M
XLogP1.26
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 130770723
N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 19958570
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 117275285
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide
CID 142053542
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]phenolate?
The IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]phenolate (CID 171407160) is 4-[(2,2,2-trifluoroacetyl)amino]phenolate.
What is the SMILES notation for 4-[(2,2,2-trifluoroacetyl)amino]phenolate?
The canonical SMILES for 4-[(2,2,2-trifluoroacetyl)amino]phenolate is O=C(Nc1ccc([O-])cc1)C(F)(F)F.
What is the InChIKey of 4-[(2,2,2-trifluoroacetyl)amino]phenolate?
The InChIKey is IKQORWCSZJKSFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)7(14)12-5-1-3-6(13)4-2-5/h1-4,13H,(H,12,14)/p-1.
What are the key properties of 4-[(2,2,2-trifluoroacetyl)amino]phenolate?
4-[(2,2,2-trifluoroacetyl)amino]phenolate has a molecular weight of 204.13 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroacetyl)amino]phenolate is sourced from PubChem (CID 171407160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).