N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide

C8H12F3NO2 — CID 171646551

IUPACN-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCON(C)C(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c1-12(14-2)6(13)5-7(3-4-7)8(9,10)11/h3-5H2,1-2H3
InChIKeyACYBFFQSWXJAJO-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.74
Rot. Bonds3

About N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide

N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 171646551) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID171646551
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCON(C)C(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c1-12(14-2)6(13)5-7(3-4-7)8(9,10)11/h3-5H2,1-2H3
InChIKeyACYBFFQSWXJAJO-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 171646551) is N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide is CON(C)C(=O)CC1(C(F)(F)F)CC1.
What is the InChIKey of N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is ACYBFFQSWXJAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-12(14-2)6(13)5-7(3-4-7)8(9,10)11/h3-5H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 171646551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).