[(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate

C10H7F4NO3 — CID 141131515

IUPAC[(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate
SMILESCN(OC(=O)C(F)(F)F)C(=O)c1ccccc1F
InChIInChI=1S/C10H7F4NO3/c1-15(18-9(17)10(12,13)14)8(16)6-4-2-3-5-7(6)11/h2-5H,1H3
InChIKeyXVDOOCSJAUYJRM-UHFFFAOYSA-N
MW265.16 g/mol
LogP1.92
Rot. Bonds1

About [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate

[(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate (PubChem CID 141131515) has the molecular formula C10H7F4NO3 and a molecular weight of 265.16 g/mol. Its IUPAC name is [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate
PubChem CID141131515
Molecular FormulaC10H7F4NO3
Molecular Weight265.16 g/mol
Exact Mass265.04
IUPAC Name[(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate
SMILESCN(OC(=O)C(F)(F)F)C(=O)c1ccccc1F
InChIInChI=1S/C10H7F4NO3/c1-15(18-9(17)10(12,13)14)8(16)6-4-2-3-5-7(6)11/h2-5H,1H3
InChIKeyXVDOOCSJAUYJRM-UHFFFAOYSA-N
XLogP1.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953294
N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide
CID 82123298
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
propyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711904
ethane;2-fluorobenzoic acid
CID 91182768
2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990578
1-(dimethylamino)ethyl 2-fluorobenzoate
CID 175337343
2-fluoro-N-(2-fluorobenzoyl)-N-(2-methylprop-2-enyl)benzamide
CID 91711960

Frequently Asked Questions

What is the IUPAC name of [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate?
The IUPAC name of [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate (CID 141131515) is [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate is CN(OC(=O)C(F)(F)F)C(=O)c1ccccc1F.
What is the InChIKey of [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate?
The InChIKey is XVDOOCSJAUYJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO3/c1-15(18-9(17)10(12,13)14)8(16)6-4-2-3-5-7(6)11/h2-5H,1H3.
What are the key properties of [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate?
[(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate has a molecular weight of 265.16 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluorobenzoyl)-methylamino] 2,2,2-trifluoroacetate is sourced from PubChem (CID 141131515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).