N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C8H7F6N3O2 — CID 81341056

IUPACN-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NOCC(F)(F)F
InChIInChI=1S/C8H7F6N3O2/c9-7(10,11)4-19-16-6(18)3-17-2-1-5(15-17)8(12,13)14/h1-2H,3-4H2,(H,16,18)
InChIKeyCFQPUWGAMUZEBX-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.51
Rot. Bonds4

About N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 81341056) has the molecular formula C8H7F6N3O2 and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID81341056
Molecular FormulaC8H7F6N3O2
Molecular Weight291.15 g/mol
Exact Mass291.04
IUPAC NameN-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NOCC(F)(F)F
InChIInChI=1S/C8H7F6N3O2/c9-7(10,11)4-19-16-6(18)3-17-2-1-5(15-17)8(12,13)14/h1-2H,3-4H2,(H,16,18)
InChIKeyCFQPUWGAMUZEBX-UHFFFAOYSA-N
XLogP1.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.51
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

N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 60668203
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 60812044
N-[2-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33370581
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 113466073
1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453412
N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 102914804
4-amino-4-oxo-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 43357075
N-(4-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26696400

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 81341056) is N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is CFQPUWGAMUZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O2/c9-7(10,11)4-19-16-6(18)3-17-2-1-5(15-17)8(12,13)14/h1-2H,3-4H2,(H,16,18).
What are the key properties of N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 291.15 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 81341056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).