[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate

C10H5F6NO4 — CID 141176315

IUPAC[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
SMILESO=C(NOC(=O)C(F)(F)F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H5F6NO4/c11-9(12,13)8(19)21-17-7(18)5-3-1-2-4-6(5)20-10(14,15)16/h1-4H,(H,17,18)
InChIKeyPAHKIRJCCUBDPY-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.34
Rot. Bonds2

About [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate

[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate (PubChem CID 141176315) has the molecular formula C10H5F6NO4 and a molecular weight of 317.14 g/mol. Its IUPAC name is [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
PubChem CID141176315
Molecular FormulaC10H5F6NO4
Molecular Weight317.14 g/mol
Exact Mass317.01
IUPAC Name[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
SMILESO=C(NOC(=O)C(F)(F)F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H5F6NO4/c11-9(12,13)8(19)21-17-7(18)5-3-1-2-4-6(5)20-10(14,15)16/h1-4H,(H,17,18)
InChIKeyPAHKIRJCCUBDPY-UHFFFAOYSA-N
XLogP2.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate
CID 141193046
2-(trifluoromethoxy)benzoate
CID 6933714
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744785
[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium
CID 86295020
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 116551144
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
[4-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]phenyl]boronic acid
CID 140784412
N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide
CID 139014844
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide
CID 69470093

Frequently Asked Questions

What is the IUPAC name of [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate?
The IUPAC name of [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate (CID 141176315) is [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate.
What is the SMILES notation for [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate?
The canonical SMILES for [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate is O=C(NOC(=O)C(F)(F)F)c1ccccc1OC(F)(F)F.
What is the InChIKey of [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate?
The InChIKey is PAHKIRJCCUBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6NO4/c11-9(12,13)8(19)21-17-7(18)5-3-1-2-4-6(5)20-10(14,15)16/h1-4H,(H,17,18).
What are the key properties of [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate?
[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate has a molecular weight of 317.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate is sourced from PubChem (CID 141176315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).